smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(Cn3cccn3)CC2)C1 ZINC000152774751 728765942 /nfs/dbraw/zinc/76/59/42/728765942.db2.gz PYAQSUNCPUFXSQ-HNNXBMFYSA-N 1 2 360.527 2.991 10 0 FFAELO O=CN1CCN(c2nc(NCc3cccs3)c3ccccc3[nH+]2)CC1 ZINC000096195093 728480816 /nfs/dbraw/zinc/48/08/16/728480816.db2.gz KVWRZTOIYCWZJU-UHFFFAOYSA-N 1 2 353.451 2.582 10 0 FFAELO CCn1c(C)nnc1C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000171707381 729011069 /nfs/dbraw/zinc/01/10/69/729011069.db2.gz BDMXWNDEHXWAJH-UHFFFAOYSA-N 1 2 351.495 2.685 10 0 FFAELO C[C@@H](CCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)NC(=O)OC(C)(C)C ZINC000192432680 729425050 /nfs/dbraw/zinc/42/50/50/729425050.db2.gz DFUJZFJCMYRQAK-LSDHHAIUSA-N 1 2 350.463 2.568 10 0 FFAELO Cc1csc([C@@H]2CCC[N@H+](CN3C(=O)N[C@](C)(C(C)(C)C)C3=O)C2)n1 ZINC000193306824 729474369 /nfs/dbraw/zinc/47/43/69/729474369.db2.gz OWIPAJAMFKWNER-ACJLOTCBSA-N 1 2 364.515 2.945 10 0 FFAELO Cc1csc([C@@H]2CCC[N@@H+](CN3C(=O)N[C@](C)(C(C)(C)C)C3=O)C2)n1 ZINC000193306824 729474371 /nfs/dbraw/zinc/47/43/71/729474371.db2.gz OWIPAJAMFKWNER-ACJLOTCBSA-N 1 2 364.515 2.945 10 0 FFAELO CCCCOc1c(Cl)cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000194636367 729516567 /nfs/dbraw/zinc/51/65/67/729516567.db2.gz LSIQYIWUQSFFHP-CQSZACIVSA-N 1 2 370.877 2.588 10 0 FFAELO CCCCOc1c(Cl)cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000194636367 729516569 /nfs/dbraw/zinc/51/65/69/729516569.db2.gz LSIQYIWUQSFFHP-CQSZACIVSA-N 1 2 370.877 2.588 10 0 FFAELO Cc1csc([C@H]2CCC[N@H+](CN3C(=O)NC4(CCCCC4)C3=O)C2)n1 ZINC000195306808 729535743 /nfs/dbraw/zinc/53/57/43/729535743.db2.gz JANULJCQJHCFHW-AWEZNQCLSA-N 1 2 362.499 2.843 10 0 FFAELO Cc1csc([C@H]2CCC[N@@H+](CN3C(=O)NC4(CCCCC4)C3=O)C2)n1 ZINC000195306808 729535745 /nfs/dbraw/zinc/53/57/45/729535745.db2.gz JANULJCQJHCFHW-AWEZNQCLSA-N 1 2 362.499 2.843 10 0 FFAELO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CCS1 ZINC000246139325 729581156 /nfs/dbraw/zinc/58/11/56/729581156.db2.gz NPWMISLRMAGAQL-BZNIZROVSA-N 1 2 353.875 2.502 10 0 FFAELO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CCS1 ZINC000246139325 729581159 /nfs/dbraw/zinc/58/11/59/729581159.db2.gz NPWMISLRMAGAQL-BZNIZROVSA-N 1 2 353.875 2.502 10 0 FFAELO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@H](C)C[C@H](O)C3)n2)C1 ZINC000333875263 729811992 /nfs/dbraw/zinc/81/19/92/729811992.db2.gz VIGPDQOVFHZJAD-NFAWXSAZSA-N 1 2 352.504 2.610 10 0 FFAELO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@H](C)C[C@H](O)C3)n2)C1 ZINC000333875263 729811994 /nfs/dbraw/zinc/81/19/94/729811994.db2.gz VIGPDQOVFHZJAD-NFAWXSAZSA-N 1 2 352.504 2.610 10 0 FFAELO COc1ccc(C(=O)NC(=O)C[N@H+](C)Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000101566380 1004871710 /nfs/dbraw/zinc/87/17/10/1004871710.db2.gz TXRJZUGCVHLSCK-UHFFFAOYSA-N 1 2 370.449 2.709 10 0 FFAELO COc1ccc(C(=O)NC(=O)C[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000101566380 1004871715 /nfs/dbraw/zinc/87/17/15/1004871715.db2.gz TXRJZUGCVHLSCK-UHFFFAOYSA-N 1 2 370.449 2.709 10 0 FFAELO Cc1noc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)n1 ZINC000038034235 204785346 /nfs/dbraw/zinc/78/53/46/204785346.db2.gz WLXOOGXQKHXKQW-UHFFFAOYSA-N 1 2 354.204 2.592 10 0 FFAELO COC(=O)c1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000103244091 250141211 /nfs/dbraw/zinc/14/12/11/250141211.db2.gz VZKJLHUMJCXWRJ-UHFFFAOYSA-N 1 2 368.437 2.967 10 0 FFAELO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000106085021 250231866 /nfs/dbraw/zinc/23/18/66/250231866.db2.gz PCHLWKSFFOHWOQ-UHFFFAOYSA-N 1 2 353.470 2.633 10 0 FFAELO CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000106082989 250232680 /nfs/dbraw/zinc/23/26/80/250232680.db2.gz OFOPQSVFYUJQJK-AWEZNQCLSA-N 1 2 367.453 2.583 10 0 FFAELO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080011 250232759 /nfs/dbraw/zinc/23/27/59/250232759.db2.gz LJJXLLYODGEAJB-LJQANCHMSA-N 1 2 369.444 2.512 10 0 FFAELO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081700 250233291 /nfs/dbraw/zinc/23/32/91/250233291.db2.gz PNUQXIDJGUGDGS-LBPRGKRZSA-N 1 2 361.396 2.658 10 0 FFAELO Cc1ncc(C[NH+]2CCN(CCC(=O)Nc3cccc(F)c3)CC2)s1 ZINC000106089778 250234600 /nfs/dbraw/zinc/23/46/00/250234600.db2.gz OXGMABLILZPQBN-UHFFFAOYSA-N 1 2 362.474 2.737 10 0 FFAELO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000106155852 250244157 /nfs/dbraw/zinc/24/41/57/250244157.db2.gz KSQJTEKLEJGHKX-SFHVURJKSA-N 1 2 369.513 2.572 10 0 FFAELO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000106155852 250244161 /nfs/dbraw/zinc/24/41/61/250244161.db2.gz KSQJTEKLEJGHKX-SFHVURJKSA-N 1 2 369.513 2.572 10 0 FFAELO CCc1noc([C@@H](C)[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000106161147 250245187 /nfs/dbraw/zinc/24/51/87/250245187.db2.gz PTKFUPMYKSIVOC-KGLIPLIRSA-N 1 2 350.488 2.760 10 0 FFAELO CCc1noc([C@@H](C)[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000106161147 250245191 /nfs/dbraw/zinc/24/51/91/250245191.db2.gz PTKFUPMYKSIVOC-KGLIPLIRSA-N 1 2 350.488 2.760 10 0 FFAELO COc1ccc(OC)c(NC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000106373165 250267241 /nfs/dbraw/zinc/26/72/41/250267241.db2.gz NRIGBXQKNGUSGZ-UHFFFAOYSA-N 1 2 372.469 2.558 10 0 FFAELO COc1ccc(NC(=O)[C@@H](C)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000106373783 250268085 /nfs/dbraw/zinc/26/80/85/250268085.db2.gz HDCGIWIWEZWRTF-CQSZACIVSA-N 1 2 356.470 2.937 10 0 FFAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000106582143 250281001 /nfs/dbraw/zinc/28/10/01/250281001.db2.gz YEBAMPPVQBUACL-GJZGRUSLSA-N 1 2 352.910 2.678 10 0 FFAELO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000107074119 250305271 /nfs/dbraw/zinc/30/52/71/250305271.db2.gz LXKBIEIJTQQWIY-UHOSZYNNSA-N 1 2 374.506 2.972 10 0 FFAELO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000107074119 250305276 /nfs/dbraw/zinc/30/52/76/250305276.db2.gz LXKBIEIJTQQWIY-UHOSZYNNSA-N 1 2 374.506 2.972 10 0 FFAELO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cnc(Cl)c(C)c3)sc2C1 ZINC000117540237 250350783 /nfs/dbraw/zinc/35/07/83/250350783.db2.gz VWCNNLUTKVJZSO-UHFFFAOYSA-N 1 2 372.903 2.679 10 0 FFAELO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cnc(Cl)c(C)c3)sc2C1 ZINC000117540237 250350789 /nfs/dbraw/zinc/35/07/89/250350789.db2.gz VWCNNLUTKVJZSO-UHFFFAOYSA-N 1 2 372.903 2.679 10 0 FFAELO COc1cc(/C=C/C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc2c1OCCO2 ZINC000120170086 250555234 /nfs/dbraw/zinc/55/52/34/250555234.db2.gz PWRQFWWUNFPZIV-LLYBFZRZSA-N 1 2 369.421 2.957 10 0 FFAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)n1 ZINC000131588684 251000354 /nfs/dbraw/zinc/00/03/54/251000354.db2.gz GRRLVNLHEXWOGW-OAQYLSRUSA-N 1 2 365.481 2.646 10 0 FFAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)n1 ZINC000131588684 251000356 /nfs/dbraw/zinc/00/03/56/251000356.db2.gz GRRLVNLHEXWOGW-OAQYLSRUSA-N 1 2 365.481 2.646 10 0 FFAELO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153064512 251097023 /nfs/dbraw/zinc/09/70/23/251097023.db2.gz MZTMPJJLLZVFMU-IAGOWNOFSA-N 1 2 368.485 2.557 10 0 FFAELO O=C(NCc1nnc(-c2ccccc2)s1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000153288281 251122329 /nfs/dbraw/zinc/12/23/29/251122329.db2.gz IZRDPXNIWJRURB-OAHLLOKOSA-N 1 2 368.466 2.776 10 0 FFAELO CCn1cc(C2CCN(C(=O)NCc3[nH+]ccn3CC(C)C)CC2)cn1 ZINC000175478543 251214925 /nfs/dbraw/zinc/21/49/25/251214925.db2.gz ZVOZGZUTDIQLGX-UHFFFAOYSA-N 1 2 358.490 2.845 10 0 FFAELO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]34)CC2)cc1 ZINC000252061020 251308443 /nfs/dbraw/zinc/30/84/43/251308443.db2.gz ZWSGADQGUZYARV-ZCNNSNEGSA-N 1 2 372.513 2.588 10 0 FFAELO C[NH+](C)c1ccc(N2CCC(NC(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]34)CC2)cc1 ZINC000252061020 251308446 /nfs/dbraw/zinc/30/84/46/251308446.db2.gz ZWSGADQGUZYARV-ZCNNSNEGSA-N 1 2 372.513 2.588 10 0 FFAELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cc(F)cc3n[nH]nc31)CCCC2 ZINC000286281139 257029188 /nfs/dbraw/zinc/02/91/88/257029188.db2.gz UOTYJBOUMKWTAF-INIZCTEOSA-N 1 2 368.416 2.687 10 0 FFAELO Cc1cc2sc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)nc2cc1F ZINC000286652023 257047842 /nfs/dbraw/zinc/04/78/42/257047842.db2.gz FKYPMVUQBAFFBM-UONOGXRCSA-N 1 2 364.446 2.681 10 0 FFAELO Cc1cc2sc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)nc2cc1F ZINC000286652023 257047843 /nfs/dbraw/zinc/04/78/43/257047843.db2.gz FKYPMVUQBAFFBM-UONOGXRCSA-N 1 2 364.446 2.681 10 0 FFAELO Clc1ccc(CN2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)nc1 ZINC000302182763 258093621 /nfs/dbraw/zinc/09/36/21/258093621.db2.gz SGNLCXIESINASC-UHFFFAOYSA-N 1 2 372.904 2.838 10 0 FFAELO CCC1(CC)CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[S@]1=O ZINC000302215523 258095557 /nfs/dbraw/zinc/09/55/57/258095557.db2.gz HQURAJWPLVVRON-OYLFLEFRSA-N 1 2 350.532 2.840 10 0 FFAELO CCC1(CC)CN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC[S@]1=O ZINC000302215523 258095559 /nfs/dbraw/zinc/09/55/59/258095559.db2.gz HQURAJWPLVVRON-OYLFLEFRSA-N 1 2 350.532 2.840 10 0 FFAELO Fc1ccc(F)c([C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000302849179 258112546 /nfs/dbraw/zinc/11/25/46/258112546.db2.gz PCJOCMHRZQURDI-CQSZACIVSA-N 1 2 360.408 2.975 10 0 FFAELO Fc1ccc(F)c([C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000302849179 258112547 /nfs/dbraw/zinc/11/25/47/258112547.db2.gz PCJOCMHRZQURDI-CQSZACIVSA-N 1 2 360.408 2.975 10 0 FFAELO O=C(C[C@H]1Sc2ccccc2NC1=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328636309 258116830 /nfs/dbraw/zinc/11/68/30/258116830.db2.gz AFEHZOYQJDVQSC-NVXWUHKLSA-N 1 2 368.462 2.707 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000301429400 258049502 /nfs/dbraw/zinc/04/95/02/258049502.db2.gz VBZYRNYPMVWMCW-UHFFFAOYSA-N 1 2 368.510 2.878 10 0 FFAELO C[C@H]1CCCN(c2cc(N3CCN(CC4CCCC4)C(=O)C3)nc[nH+]2)C1 ZINC000301836026 258069810 /nfs/dbraw/zinc/06/98/10/258069810.db2.gz WWXVCWYZNDIJMD-INIZCTEOSA-N 1 2 357.502 2.552 10 0 FFAELO C[C@H]1CCCN(c2cc(N3CCN(CC4CCCC4)C(=O)C3)[nH+]cn2)C1 ZINC000301836026 258069811 /nfs/dbraw/zinc/06/98/11/258069811.db2.gz WWXVCWYZNDIJMD-INIZCTEOSA-N 1 2 357.502 2.552 10 0 FFAELO O=C(Cc1ccc2c(c1)OCCO2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328701048 258118448 /nfs/dbraw/zinc/11/84/48/258118448.db2.gz WKTAXSIQDZLSNS-QGZVFWFLSA-N 1 2 372.852 2.827 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNc2nnc(-c3ccccn3)s2)nc[nH+]1 ZINC000302010279 258081638 /nfs/dbraw/zinc/08/16/38/258081638.db2.gz CEQJVOPSWJRURM-GFCCVEGCSA-N 1 2 368.470 2.513 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNc2nnc(-c3ccccn3)s2)[nH+]cn1 ZINC000302010279 258081641 /nfs/dbraw/zinc/08/16/41/258081641.db2.gz CEQJVOPSWJRURM-GFCCVEGCSA-N 1 2 368.470 2.513 10 0 FFAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(-c4cccc(Cl)c4)no3)C[C@H]21 ZINC000328909267 258124072 /nfs/dbraw/zinc/12/40/72/258124072.db2.gz MQPPXPWUMVPWBS-CVEARBPZSA-N 1 2 361.829 2.540 10 0 FFAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(-c4cccc(Cl)c4)no3)C[C@H]21 ZINC000328909267 258124073 /nfs/dbraw/zinc/12/40/73/258124073.db2.gz MQPPXPWUMVPWBS-CVEARBPZSA-N 1 2 361.829 2.540 10 0 FFAELO O=C1[C@H]([N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CCN1c1ccccc1F ZINC000329019586 258126842 /nfs/dbraw/zinc/12/68/42/258126842.db2.gz HJVSEVUKTAJCLT-XJKSGUPXSA-N 1 2 356.401 2.681 10 0 FFAELO O=C1[C@H]([N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CCN1c1ccccc1F ZINC000329019586 258126843 /nfs/dbraw/zinc/12/68/43/258126843.db2.gz HJVSEVUKTAJCLT-XJKSGUPXSA-N 1 2 356.401 2.681 10 0 FFAELO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000329698459 258145224 /nfs/dbraw/zinc/14/52/24/258145224.db2.gz FRKFINUMUADKCS-AWEZNQCLSA-N 1 2 366.421 2.581 10 0 FFAELO CC(C)c1nc(C(=O)N2CCn3cc[nH+]c3C2)nn1-c1ccccc1Cl ZINC000329700902 258145235 /nfs/dbraw/zinc/14/52/35/258145235.db2.gz GYZTZZBJZCUABA-UHFFFAOYSA-N 1 2 370.844 2.897 10 0 FFAELO Cn1nc([C@H]2CCCOC2)cc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000329848521 258148687 /nfs/dbraw/zinc/14/86/87/258148687.db2.gz NICIYVPPLXNQCI-WMZOPIPTSA-N 1 2 354.454 2.527 10 0 FFAELO Cn1nc([C@H]2CCCOC2)cc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000329848521 258148688 /nfs/dbraw/zinc/14/86/88/258148688.db2.gz NICIYVPPLXNQCI-WMZOPIPTSA-N 1 2 354.454 2.527 10 0 FFAELO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCS[C@H](C)C1)C1CCOCC1 ZINC000332818702 258242462 /nfs/dbraw/zinc/24/24/62/258242462.db2.gz VVDMGWOOJXVHHC-HIFRSBDPSA-N 1 2 352.504 2.518 10 0 FFAELO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000333204006 258255800 /nfs/dbraw/zinc/25/58/00/258255800.db2.gz AEXDMEIDZMAQAW-CHWSQXEVSA-N 1 2 352.504 2.768 10 0 FFAELO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000046263187 507106951 /nfs/dbraw/zinc/10/69/51/507106951.db2.gz AHCLSNJJIPCYJS-WMLDXEAASA-N 1 2 351.878 2.907 10 0 FFAELO CCCc1noc2nc(C3CC3)cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)c12 ZINC000046745522 507187354 /nfs/dbraw/zinc/18/73/54/507187354.db2.gz KXOLOQUBAAWCBU-CYBMUJFWSA-N 1 2 372.469 2.503 10 0 FFAELO c1ccc2c(c1)C[C@H](N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)CO2 ZINC000020137647 507212737 /nfs/dbraw/zinc/21/27/37/507212737.db2.gz YNDSSILZQLLIJX-SFHVURJKSA-N 1 2 352.434 2.537 10 0 FFAELO C[C@@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)[NH+]1CCOCC1 ZINC000029960014 507797858 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Cc1ncc(C[NH+]2CCN(CCc3nc(-c4ccccc4)no3)CC2)s1 ZINC000157934032 508635544 /nfs/dbraw/zinc/63/55/44/508635544.db2.gz SJDIYZDOBWNQJG-UHFFFAOYSA-N 1 2 369.494 2.862 10 0 FFAELO Cc1nnc([C@@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CCO2)[nH]1 ZINC000154020084 508700734 /nfs/dbraw/zinc/70/07/34/508700734.db2.gz MHFPZRNXEYQPDF-AWEZNQCLSA-N 1 2 356.348 2.628 10 0 FFAELO Cc1nnc([C@@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CCO2)[nH]1 ZINC000154020084 508700737 /nfs/dbraw/zinc/70/07/37/508700737.db2.gz MHFPZRNXEYQPDF-AWEZNQCLSA-N 1 2 356.348 2.628 10 0 FFAELO Cc1nc([C@@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CCO2)n[nH]1 ZINC000154020084 508700742 /nfs/dbraw/zinc/70/07/42/508700742.db2.gz MHFPZRNXEYQPDF-AWEZNQCLSA-N 1 2 356.348 2.628 10 0 FFAELO Cc1nc([C@@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CCO2)n[nH]1 ZINC000154020084 508700745 /nfs/dbraw/zinc/70/07/45/508700745.db2.gz MHFPZRNXEYQPDF-AWEZNQCLSA-N 1 2 356.348 2.628 10 0 FFAELO CCc1nnc([C@@H]2C[N@H+](Cc3c(C)nn(-c4ccccc4)c3C)CCO2)[nH]1 ZINC000129230871 508701437 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Cn1cc(CN2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)CC2)cn1 ZINC000155197451 508945601 /nfs/dbraw/zinc/94/56/01/508945601.db2.gz UABURGRAHZENCK-UHFFFAOYSA-N 1 2 368.510 2.647 10 0 FFAELO C[C@H]1CN(Cc2coc(-c3c(F)cccc3F)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000155253818 508959121 /nfs/dbraw/zinc/95/91/21/508959121.db2.gz HLGCHAHRIHFWPI-GUYCJALGSA-N 1 2 363.408 2.772 10 0 FFAELO CCCC1(CNC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CCC1 ZINC000155319371 508975759 /nfs/dbraw/zinc/97/57/59/508975759.db2.gz XMFYUKYEKNUKFM-UHFFFAOYSA-N 1 2 361.534 2.835 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)/C=C/c1cccc(O)c1 ZINC000155412447 508995602 /nfs/dbraw/zinc/99/56/02/508995602.db2.gz NOIXCAIBCGHDHH-LKGOPFMKSA-N 1 2 372.490 2.999 10 0 FFAELO CCCn1nc(C)c(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)c1C ZINC000120538555 509015949 /nfs/dbraw/zinc/01/59/49/509015949.db2.gz CXWALLCSCKSAQA-NRFANRHFSA-N 1 2 356.514 2.761 10 0 FFAELO O=C1[C@H]([NH+]2CCC(Cn3cccn3)CC2)CCN1c1c(F)cccc1F ZINC000120577499 509024835 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Cc1cc(C[C@@H](C)NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000120957012 509096999 /nfs/dbraw/zinc/09/69/99/509096999.db2.gz DAINQHNLWZAMSV-UKRRQHHQSA-N 1 2 352.442 2.895 10 0 FFAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)n1 ZINC000121338857 509167877 /nfs/dbraw/zinc/16/78/77/509167877.db2.gz SHKHMMGMWBJQQN-OAHLLOKOSA-N 1 2 373.476 2.996 10 0 FFAELO CCc1noc([C@H](C)N2CC[NH+](Cc3cccc(OCCOC)c3)CC2)n1 ZINC000121362979 509169678 /nfs/dbraw/zinc/16/96/78/509169678.db2.gz HPVVZIQWZVXABO-INIZCTEOSA-N 1 2 374.485 2.536 10 0 FFAELO C[C@@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000121362936 509169701 /nfs/dbraw/zinc/16/97/01/509169701.db2.gz LNWJRGHYQWABAO-WBVHZDCISA-N 1 2 371.506 2.527 10 0 FFAELO C[C@@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000121376339 509170215 /nfs/dbraw/zinc/17/02/15/509170215.db2.gz AELUXEZBFUGQPA-IAQYHMDHSA-N 1 2 360.351 2.637 10 0 FFAELO O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743171 509207570 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2 360.845 2.618 10 0 FFAELO Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172748265 509211014 /nfs/dbraw/zinc/21/10/14/509211014.db2.gz GSSBAFGRTUYIAS-SFHVURJKSA-N 1 2 351.450 2.604 10 0 FFAELO O=C(CCc1ccc(Cl)cc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172756845 509216527 /nfs/dbraw/zinc/21/65/27/509216527.db2.gz UMMRHINRBSFLIQ-OAHLLOKOSA-N 1 2 357.281 2.859 10 0 FFAELO COc1ccc(CCCCCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000172764642 509221307 /nfs/dbraw/zinc/22/13/07/509221307.db2.gz SEFXXRMGZLIMKM-LJQANCHMSA-N 1 2 360.498 2.731 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H]1CN(c3ccccc3)C(=O)O1)C2 ZINC000172795959 509240787 /nfs/dbraw/zinc/24/07/87/509240787.db2.gz MSLIIECGTUGRHP-INIZCTEOSA-N 1 2 354.454 2.927 10 0 FFAELO Cc1ccc([C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CCO2)o1 ZINC000179083563 509254907 /nfs/dbraw/zinc/25/49/07/509254907.db2.gz VWQHBFKXQQLVNI-SFHVURJKSA-N 1 2 370.453 2.866 10 0 FFAELO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nnc(-c2ccccc2)o1 ZINC000172866335 509278709 /nfs/dbraw/zinc/27/87/09/509278709.db2.gz YRMULEZUJMLKQF-QWHCGFSZSA-N 1 2 372.450 2.796 10 0 FFAELO CC(C)n1ccc(C[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191986631 509279145 /nfs/dbraw/zinc/27/91/45/509279145.db2.gz UMURUJGGYZXBDB-UHFFFAOYSA-N 1 2 350.507 2.702 10 0 FFAELO COC(=O)[C@@H](NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000220627085 509302342 /nfs/dbraw/zinc/30/23/42/509302342.db2.gz SFVKTCCPWUTCNT-WBMJQRKESA-N 1 2 361.829 2.507 10 0 FFAELO COC(=O)[C@@H](NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000220627085 509302349 /nfs/dbraw/zinc/30/23/49/509302349.db2.gz SFVKTCCPWUTCNT-WBMJQRKESA-N 1 2 361.829 2.507 10 0 FFAELO O=C(Nc1ccccc1)c1nnc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000182564638 509306775 /nfs/dbraw/zinc/30/67/75/509306775.db2.gz XPOTWRRPGVIFIC-AUUYWEPGSA-N 1 2 372.494 2.917 10 0 FFAELO O=C(Nc1ccccc1)c1nnc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000182564638 509306783 /nfs/dbraw/zinc/30/67/83/509306783.db2.gz XPOTWRRPGVIFIC-AUUYWEPGSA-N 1 2 372.494 2.917 10 0 FFAELO C[C@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176082829 509314774 /nfs/dbraw/zinc/31/47/74/509314774.db2.gz VORQTPOVHMLCCD-LBPRGKRZSA-N 1 2 367.384 2.993 10 0 FFAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1c(F)cccc1Cl ZINC000176162698 509355897 /nfs/dbraw/zinc/35/58/97/509355897.db2.gz ZHDGOWQPRSNLTM-OLZOCXBDSA-N 1 2 355.841 2.656 10 0 FFAELO Fc1ccccc1-c1noc(C[NH+]2CCC(Nc3cccnn3)CC2)n1 ZINC000189007070 509366208 /nfs/dbraw/zinc/36/62/08/509366208.db2.gz QQNFCUFDDMCZQJ-UHFFFAOYSA-N 1 2 354.389 2.742 10 0 FFAELO CC(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)no1 ZINC000248589877 509379156 /nfs/dbraw/zinc/37/91/56/509379156.db2.gz KSWUBTJHCZQOFZ-MELADBBJSA-N 1 2 350.463 2.928 10 0 FFAELO CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)no1 ZINC000248589877 509379165 /nfs/dbraw/zinc/37/91/65/509379165.db2.gz KSWUBTJHCZQOFZ-MELADBBJSA-N 1 2 350.463 2.928 10 0 FFAELO c1c[nH]c([C@H](NCC2([NH+]3CCOCC3)CCCCC2)c2ccncc2)n1 ZINC000189038274 509382118 /nfs/dbraw/zinc/38/21/18/509382118.db2.gz HAFLODFTPRSAQK-GOSISDBHSA-N 1 2 355.486 2.519 10 0 FFAELO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248605336 509387355 /nfs/dbraw/zinc/38/73/55/509387355.db2.gz CEQCRYNMYGKMJG-HZPDHXFCSA-N 1 2 353.484 2.502 10 0 FFAELO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248605336 509387365 /nfs/dbraw/zinc/38/73/65/509387365.db2.gz CEQCRYNMYGKMJG-HZPDHXFCSA-N 1 2 353.484 2.502 10 0 FFAELO CCCc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)no1 ZINC000248629527 509402794 /nfs/dbraw/zinc/40/27/94/509402794.db2.gz VZAAGVBOEJPZJG-MELADBBJSA-N 1 2 350.463 2.757 10 0 FFAELO CCCc1nc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)no1 ZINC000248629527 509402801 /nfs/dbraw/zinc/40/28/01/509402801.db2.gz VZAAGVBOEJPZJG-MELADBBJSA-N 1 2 350.463 2.757 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000248649696 509417467 /nfs/dbraw/zinc/41/74/67/509417467.db2.gz WCGPVMGAYXYQOE-CJNGLKHVSA-N 1 2 356.413 2.966 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000248649696 509417472 /nfs/dbraw/zinc/41/74/72/509417472.db2.gz WCGPVMGAYXYQOE-CJNGLKHVSA-N 1 2 356.413 2.966 10 0 FFAELO CCc1cccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000182791627 509427969 /nfs/dbraw/zinc/42/79/69/509427969.db2.gz JRBWYNXSAJWDPC-UHFFFAOYSA-N 1 2 354.454 2.629 10 0 FFAELO Cc1ccc(OC2CC[NH+]([C@@H](C)c3nnnn3-c3ccccc3)CC2)nc1 ZINC000182840807 509455080 /nfs/dbraw/zinc/45/50/80/509455080.db2.gz CEUGDFLMNCBVBM-INIZCTEOSA-N 1 2 364.453 2.970 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000189199579 509459479 /nfs/dbraw/zinc/45/94/79/509459479.db2.gz FHVSBEIOAPEZAA-OAHLLOKOSA-N 1 2 358.404 2.721 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000189199579 509459482 /nfs/dbraw/zinc/45/94/82/509459482.db2.gz FHVSBEIOAPEZAA-OAHLLOKOSA-N 1 2 358.404 2.721 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)c2ccccc2C)nc[nH+]1 ZINC000173243837 509476002 /nfs/dbraw/zinc/47/60/02/509476002.db2.gz RQGBNICEAOGGLM-HZPDHXFCSA-N 1 2 368.485 2.856 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)c2ccccc2C)[nH+]cn1 ZINC000173243837 509476010 /nfs/dbraw/zinc/47/60/10/509476010.db2.gz RQGBNICEAOGGLM-HZPDHXFCSA-N 1 2 368.485 2.856 10 0 FFAELO CCn1cc([C@@H]2C[N@H+](C[C@@H](O)COc3c(C)ccc(C)c3C)CCO2)cn1 ZINC000248822045 509497300 /nfs/dbraw/zinc/49/73/00/509497300.db2.gz VYXMQEGVCCJJDQ-UXHICEINSA-N 1 2 373.497 2.641 10 0 FFAELO CCn1cc([C@@H]2C[N@@H+](C[C@@H](O)COc3c(C)ccc(C)c3C)CCO2)cn1 ZINC000248822045 509497308 /nfs/dbraw/zinc/49/73/08/509497308.db2.gz VYXMQEGVCCJJDQ-UXHICEINSA-N 1 2 373.497 2.641 10 0 FFAELO C[C@H]1CN(C(=O)CSc2nccc3ccccc32)C[C@H]1[NH+]1CCOCC1 ZINC000164416543 509500023 /nfs/dbraw/zinc/50/00/23/509500023.db2.gz NHTUYFFNDGOYQI-MAUKXSAKSA-N 1 2 371.506 2.506 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccoc3Cl)CC2)cn1 ZINC000192392956 509501791 /nfs/dbraw/zinc/50/17/91/509501791.db2.gz PONMULCENDCOEH-UHFFFAOYSA-N 1 2 350.850 2.888 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccoc3Cl)CC2)cn1 ZINC000192392956 509501799 /nfs/dbraw/zinc/50/17/99/509501799.db2.gz PONMULCENDCOEH-UHFFFAOYSA-N 1 2 350.850 2.888 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Cl)cc2C)nc[nH+]1 ZINC000164435641 509502154 /nfs/dbraw/zinc/50/21/54/509502154.db2.gz OEIMTDRLITYPDL-CQSZACIVSA-N 1 2 359.861 2.879 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Cl)cc2C)[nH+]cn1 ZINC000164435641 509502158 /nfs/dbraw/zinc/50/21/58/509502158.db2.gz OEIMTDRLITYPDL-CQSZACIVSA-N 1 2 359.861 2.879 10 0 FFAELO CCc1nnc([C@H]2C[N@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)[nH]1 ZINC000182934608 509505111 /nfs/dbraw/zinc/50/51/11/509505111.db2.gz ILZAROSIBATBKG-MRXNPFEDSA-N 1 2 358.490 2.722 10 0 FFAELO CCc1nnc([C@H]2C[N@@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)[nH]1 ZINC000182934608 509505119 /nfs/dbraw/zinc/50/51/19/509505119.db2.gz ILZAROSIBATBKG-MRXNPFEDSA-N 1 2 358.490 2.722 10 0 FFAELO Cc1ccc(C(=O)CCC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1 ZINC000173292441 509509764 /nfs/dbraw/zinc/50/97/64/509509764.db2.gz UPQOKTKNSFBAST-HXUWFJFHSA-N 1 2 371.525 2.586 10 0 FFAELO CCCC[C@@H]([NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1)C(=O)OC ZINC000173336711 509538650 /nfs/dbraw/zinc/53/86/50/509538650.db2.gz JWJJAMRLDHPRSV-HZPDHXFCSA-N 1 2 354.516 2.751 10 0 FFAELO CCCC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)OC ZINC000173336728 509539045 /nfs/dbraw/zinc/53/90/45/509539045.db2.gz HHDACWOLPJLOIX-PMPSAXMXSA-N 1 2 354.516 2.831 10 0 FFAELO Cn1cc(-c2cc(C[N@@H+]3C[C@@H](O)C[C@H]3c3cc(F)ccc3F)on2)cn1 ZINC000248907246 509539785 /nfs/dbraw/zinc/53/97/85/509539785.db2.gz BJBYGMKNAZQSPE-UGSOOPFHSA-N 1 2 360.364 2.661 10 0 FFAELO Cn1cc(-c2cc(C[N@H+]3C[C@@H](O)C[C@H]3c3cc(F)ccc3F)on2)cn1 ZINC000248907246 509539789 /nfs/dbraw/zinc/53/97/89/509539789.db2.gz BJBYGMKNAZQSPE-UGSOOPFHSA-N 1 2 360.364 2.661 10 0 FFAELO C[C@@H](CNC(=O)NCCCCCc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000186164623 509555003 /nfs/dbraw/zinc/55/50/03/509555003.db2.gz YJHKWRZYGBSJHX-INIZCTEOSA-N 1 2 351.466 2.558 10 0 FFAELO CSCCCCCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000186176929 509560197 /nfs/dbraw/zinc/56/01/97/509560197.db2.gz XVGWBIUPURVBRG-UHFFFAOYSA-N 1 2 356.561 2.812 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1n[nH]c2ccccc21 ZINC000176528796 509564480 /nfs/dbraw/zinc/56/44/80/509564480.db2.gz GBEJOOVSIXTKDB-MRXNPFEDSA-N 1 2 370.478 2.770 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000176528753 509564851 /nfs/dbraw/zinc/56/48/51/509564851.db2.gz FMXZPWAMRZUHDN-SJLPKXTDSA-N 1 2 372.490 2.584 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc2[nH]cnc2c1 ZINC000176539718 509571192 /nfs/dbraw/zinc/57/11/92/509571192.db2.gz OBHFYICQANVBHO-QGZVFWFLSA-N 1 2 370.478 2.770 10 0 FFAELO Cc1ccc([C@H](CNC(=O)c2ccnc(Cl)c2)[NH+]2CCOCC2)s1 ZINC000176554780 509581313 /nfs/dbraw/zinc/58/13/13/509581313.db2.gz LGLPLEVLWMCUKT-AWEZNQCLSA-N 1 2 365.886 2.908 10 0 FFAELO 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361.392 2.706 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1ccccc1O ZINC000176526411 509562931 /nfs/dbraw/zinc/56/29/31/509562931.db2.gz BMKTZGQWLWOQNY-MRXNPFEDSA-N 1 2 360.479 2.528 10 0 FFAELO COc1cccc(CC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000176532600 509566844 /nfs/dbraw/zinc/56/68/44/509566844.db2.gz VLRMSBFFFVKJKT-GOSISDBHSA-N 1 2 374.506 2.831 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cccc2cn[nH]c21 ZINC000176533136 509568474 /nfs/dbraw/zinc/56/84/74/509568474.db2.gz MZEDCZZJTAFBNZ-MRXNPFEDSA-N 1 2 370.478 2.770 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)c2cc(C(C)C)n[nH]2)[NH+]2CCOCC2)s1 ZINC000176548569 509576875 /nfs/dbraw/zinc/57/68/75/509576875.db2.gz BBCVDZJXVDTTOV-MRXNPFEDSA-N 1 2 362.499 2.706 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2SC)nc[nH+]1 ZINC000173408529 509578511 /nfs/dbraw/zinc/57/85/11/509578511.db2.gz YKYHNFSAFWNVFV-ZDUSSCGKSA-N 1 2 357.483 2.639 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2SC)[nH+]cn1 ZINC000173408529 509578516 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10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc3[nH]ccc3c2)nc[nH+]1 ZINC000175843523 510819925 /nfs/dbraw/zinc/81/99/25/510819925.db2.gz NXVXGSYFEJLMHM-HNNXBMFYSA-N 1 2 365.441 2.790 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc3[nH]ccc3c2)[nH+]cn1 ZINC000175843523 510819928 /nfs/dbraw/zinc/81/99/28/510819928.db2.gz NXVXGSYFEJLMHM-HNNXBMFYSA-N 1 2 365.441 2.790 10 0 FFAELO Cc1nc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)cc[nH+]1 ZINC000185442270 510845527 /nfs/dbraw/zinc/84/55/27/510845527.db2.gz YUPKOSQVQKKWGC-HUUCEWRRSA-N 1 2 358.392 2.516 10 0 FFAELO C[C@@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000247240039 510853752 /nfs/dbraw/zinc/85/37/52/510853752.db2.gz XUUQJUQTEWEEBG-PBHICJAKSA-N 1 2 373.428 2.549 10 0 FFAELO C[C@@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000247240039 510853753 /nfs/dbraw/zinc/85/37/53/510853753.db2.gz XUUQJUQTEWEEBG-PBHICJAKSA-N 1 2 373.428 2.549 10 0 FFAELO COc1nc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ncc1Br ZINC000247681154 510868456 /nfs/dbraw/zinc/86/84/56/510868456.db2.gz RTDKLELMJGCZOY-CMPLNLGQSA-N 1 2 352.236 2.532 10 0 FFAELO C[C@@H]1CCN(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247693121 510868685 /nfs/dbraw/zinc/86/86/85/510868685.db2.gz SVMFGTKAARUBHS-UWWQBHOKSA-N 1 2 367.453 2.602 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)C(=O)NCCC3=CCCCC3)CCO2)n1 ZINC000247813213 510871048 /nfs/dbraw/zinc/87/10/48/510871048.db2.gz VMRJYRWXPAXYGD-QUCCMNQESA-N 1 2 374.529 2.596 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C)C(=O)NCCC3=CCCCC3)CCO2)n1 ZINC000247813213 510871049 /nfs/dbraw/zinc/87/10/49/510871049.db2.gz VMRJYRWXPAXYGD-QUCCMNQESA-N 1 2 374.529 2.596 10 0 FFAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCO[C@@H](c3cccc(O)c3)C1)CCC2 ZINC000332679985 511088887 /nfs/dbraw/zinc/08/88/87/511088887.db2.gz GQMHXOYAIBOCCA-SJLPKXTDSA-N 1 2 370.453 2.558 10 0 FFAELO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H](O)[C@H]3C)n2)C1 ZINC000333831073 511368286 /nfs/dbraw/zinc/36/82/86/511368286.db2.gz LOQZOSJTKIOGJH-NFAWXSAZSA-N 1 2 352.504 2.752 10 0 FFAELO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H](O)[C@H]3C)n2)C1 ZINC000333831073 511368287 /nfs/dbraw/zinc/36/82/87/511368287.db2.gz LOQZOSJTKIOGJH-NFAWXSAZSA-N 1 2 352.504 2.752 10 0 FFAELO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C[C@H]1CCCCO1)CC2 ZINC000328623930 511896322 /nfs/dbraw/zinc/89/63/22/511896322.db2.gz CDXXFBPKXXTRGV-CVEARBPZSA-N 1 2 363.527 2.915 10 0 FFAELO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C[C@H]1CCCCO1)CC2 ZINC000328623930 511896328 /nfs/dbraw/zinc/89/63/28/511896328.db2.gz CDXXFBPKXXTRGV-CVEARBPZSA-N 1 2 363.527 2.915 10 0 FFAELO Cc1cc([C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)n[nH]1 ZINC000377843477 512478851 /nfs/dbraw/zinc/47/88/51/512478851.db2.gz IHPVGARGHBLZMH-MTNOOBJLSA-N 1 2 362.518 2.558 10 0 FFAELO CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)o1 ZINC000378170492 512623961 /nfs/dbraw/zinc/62/39/61/512623961.db2.gz XBKPZMJJHVPKPU-INIZCTEOSA-N 1 2 357.458 2.580 10 0 FFAELO O=C(CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408039332 512988720 /nfs/dbraw/zinc/98/87/20/512988720.db2.gz UZDAGOKYSLUXLO-OTWHNJEPSA-N 1 2 372.513 2.595 10 0 FFAELO CNC(=O)[C@@H]1CCCN1C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000408160462 513011650 /nfs/dbraw/zinc/01/16/50/513011650.db2.gz VUNZIZWPQDAIAF-ZBFHGGJFSA-N 1 2 359.474 2.511 10 0 FFAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCOCC[C@H]1c1cc2ccccc2nn1 ZINC000616597013 520073176 /nfs/dbraw/zinc/07/31/76/520073176.db2.gz DOXBPIAOLBPTOU-SFHVURJKSA-N 1 2 372.469 2.918 10 0 FFAELO CC(C)(C)OC(=O)NCC[N@H+]1CCOCC[C@H]1c1cc2ccccc2nn1 ZINC000616597013 520073185 /nfs/dbraw/zinc/07/31/85/520073185.db2.gz DOXBPIAOLBPTOU-SFHVURJKSA-N 1 2 372.469 2.918 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000106142480 728509960 /nfs/dbraw/zinc/50/99/60/728509960.db2.gz DIXPHLKAZZYETP-IBGZPJMESA-N 1 2 362.905 2.542 10 0 FFAELO Cc1cnc(=S)n(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000132757006 728725274 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COCC[N@H+]1CCN(C(=O)c2sc(C)nc2-c2ccccc2)C[C@@H]1C ZINC000172225054 510608380 /nfs/dbraw/zinc/60/83/80/510608380.db2.gz PTSTXGXJNBWFPT-AWEZNQCLSA-N 1 2 359.495 2.911 10 0 FFAELO O=C(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000181897793 510647597 /nfs/dbraw/zinc/64/75/97/510647597.db2.gz PFWDHVWVSKUGJW-GFCCVEGCSA-N 1 2 362.779 2.906 10 0 FFAELO C[C@H](C1CC1)N(C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)C1CC1 ZINC000246773112 510665450 /nfs/dbraw/zinc/66/54/50/510665450.db2.gz RHPFWYRMOSCKNV-GFJSAUFNSA-N 1 2 364.436 2.862 10 0 FFAELO C[C@H](C1CC1)N(C(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)C1CC1 ZINC000246773112 510665454 /nfs/dbraw/zinc/66/54/54/510665454.db2.gz RHPFWYRMOSCKNV-GFJSAUFNSA-N 1 2 364.436 2.862 10 0 FFAELO CCCCCc1nnc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)s1 ZINC000246822112 510692319 /nfs/dbraw/zinc/69/23/19/510692319.db2.gz JWLYRGJUDYHPCB-KBXCAEBGSA-N 1 2 366.531 2.836 10 0 FFAELO CCCCCc1nnc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)s1 ZINC000246822112 510692322 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FFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)NCCCC1CCCCC1 ZINC000156267471 509152661 /nfs/dbraw/zinc/15/26/61/509152661.db2.gz OXKBIXGCTBDSPC-UHFFFAOYSA-N 1 2 369.531 2.856 10 0 FFAELO CCCn1nc(C)c(C[NH+]2CCN([C@H](C)c3nc(CC)no3)CC2)c1C ZINC000121355164 509169007 /nfs/dbraw/zinc/16/90/07/509169007.db2.gz VCIITRBNEDCSRL-MRXNPFEDSA-N 1 2 360.506 2.734 10 0 FFAELO C[C@H](Oc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1)c1ccccc1 ZINC000191799565 509186053 /nfs/dbraw/zinc/18/60/53/509186053.db2.gz KGHCFVKTTMKIEI-JXFKEZNVSA-N 1 2 354.450 2.887 10 0 FFAELO C[C@H](Oc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1)c1ccccc1 ZINC000191799565 509186061 /nfs/dbraw/zinc/18/60/61/509186061.db2.gz KGHCFVKTTMKIEI-JXFKEZNVSA-N 1 2 354.450 2.887 10 0 FFAELO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000195504932 509198314 /nfs/dbraw/zinc/19/83/14/509198314.db2.gz NRYKTCBVPFJHIG-ZDUSSCGKSA-N 1 2 355.442 2.575 10 0 FFAELO COc1ccc([C@@H](Nc2ncnc3onc(C)c32)c2[nH+]ccn2C)cc1 ZINC000195506877 509200687 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FFAELO c1sc(CCc2ccccc2)nc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000175910191 509213080 /nfs/dbraw/zinc/21/30/80/509213080.db2.gz SGCMJOVATICPNS-LJQANCHMSA-N 1 2 357.523 2.835 10 0 FFAELO c1sc(CCc2ccccc2)nc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000175910191 509213087 /nfs/dbraw/zinc/21/30/87/509213087.db2.gz SGCMJOVATICPNS-LJQANCHMSA-N 1 2 357.523 2.835 10 0 FFAELO c1sc(CCc2ccccc2)nc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175910191 509213093 /nfs/dbraw/zinc/21/30/93/509213093.db2.gz SGCMJOVATICPNS-LJQANCHMSA-N 1 2 357.523 2.835 10 0 FFAELO O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764800 509220720 /nfs/dbraw/zinc/22/07/20/509220720.db2.gz ZJUXLPWMCRHTCF-PCCBWWKXSA-N 1 2 350.462 2.876 10 0 FFAELO C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@H]([NH+]5CCOCC5)C4)cc3c2C1 ZINC000172765686 509222224 /nfs/dbraw/zinc/22/22/24/509222224.db2.gz CJSFYCFTQUTMJU-WBVHZDCISA-N 1 2 367.493 2.839 10 0 FFAELO O=C([C@@H](Oc1ccccc1)c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767410 509222691 /nfs/dbraw/zinc/22/26/91/509222691.db2.gz CFTFVRJGWHRUPC-CTNGQTDRSA-N 1 2 366.461 2.740 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCS[C@H](C)C2)c2cccs2)CCO1 ZINC000248337372 509271522 /nfs/dbraw/zinc/27/15/22/509271522.db2.gz HJZLJIYXAPEADT-RBSFLKMASA-N 1 2 369.556 2.657 10 0 FFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCS[C@H](C)C2)c2cccs2)CCO1 ZINC000248337372 509271532 /nfs/dbraw/zinc/27/15/32/509271532.db2.gz HJZLJIYXAPEADT-RBSFLKMASA-N 1 2 369.556 2.657 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCS[C@@H](C)C2)c2cccs2)CCO1 ZINC000248337370 509272051 /nfs/dbraw/zinc/27/20/51/509272051.db2.gz HJZLJIYXAPEADT-QLFBSQMISA-N 1 2 369.556 2.657 10 0 FFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCS[C@@H](C)C2)c2cccs2)CCO1 ZINC000248337370 509272058 /nfs/dbraw/zinc/27/20/58/509272058.db2.gz HJZLJIYXAPEADT-QLFBSQMISA-N 1 2 369.556 2.657 10 0 FFAELO C[C@@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccc(C(C)(C)C)cc1 ZINC000182610566 509331423 /nfs/dbraw/zinc/33/14/23/509331423.db2.gz XSMCISNRPFJQRZ-GFCCVEGCSA-N 1 2 351.472 2.763 10 0 FFAELO COc1cccc(-c2noc([C@@H](C)[NH2+]CC(=O)N3C[C@H](C)C[C@H](C)C3)n2)c1 ZINC000248614667 509393799 /nfs/dbraw/zinc/39/37/99/509393799.db2.gz RHUKCACOHLCZOV-QLFBSQMISA-N 1 2 372.469 2.900 10 0 FFAELO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000248642253 509411271 /nfs/dbraw/zinc/41/12/71/509411271.db2.gz DAEFYVKIOAMZMJ-LSDHHAIUSA-N 1 2 356.532 2.992 10 0 FFAELO CCCCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000248642253 509411279 /nfs/dbraw/zinc/41/12/79/509411279.db2.gz DAEFYVKIOAMZMJ-LSDHHAIUSA-N 1 2 356.532 2.992 10 0 FFAELO C[C@@H](CNC(=O)[C@@H]1CCCn2cc[nH+]c21)c1nc(-c2ccccc2)no1 ZINC000179455807 509451750 /nfs/dbraw/zinc/45/17/50/509451750.db2.gz MUSXHCYWHDMZBR-DZGCQCFKSA-N 1 2 351.410 2.730 10 0 FFAELO COC(=O)C1CCC(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000179520457 509493505 /nfs/dbraw/zinc/49/35/05/509493505.db2.gz XHLUYOIPRFKFFL-UHFFFAOYSA-N 1 2 369.465 2.721 10 0 FFAELO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000179527375 509495382 /nfs/dbraw/zinc/49/53/82/509495382.db2.gz XYNPQPFGACXLST-UHFFFAOYSA-N 1 2 364.925 2.731 10 0 FFAELO C[C@@H](NC(=O)NCCCOC[C@@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173298233 509514702 /nfs/dbraw/zinc/51/47/02/509514702.db2.gz IWPWPUKIPBVKGE-SJORKVTESA-N 1 2 372.469 2.676 10 0 FFAELO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173312057 509524605 /nfs/dbraw/zinc/52/46/05/509524605.db2.gz ZROCRZMODZPIPH-XJKSGUPXSA-N 1 2 364.457 2.829 10 0 FFAELO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173312057 509524610 /nfs/dbraw/zinc/52/46/10/509524610.db2.gz ZROCRZMODZPIPH-XJKSGUPXSA-N 1 2 364.457 2.829 10 0 FFAELO Cn1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c(-c2cccs2)n1 ZINC000179602458 509531143 /nfs/dbraw/zinc/53/11/43/509531143.db2.gz HNGJLCIRHPCNOE-MRXNPFEDSA-N 1 2 352.463 2.561 10 0 FFAELO Cn1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c(-c2cccs2)n1 ZINC000179602458 509531147 /nfs/dbraw/zinc/53/11/47/509531147.db2.gz HNGJLCIRHPCNOE-MRXNPFEDSA-N 1 2 352.463 2.561 10 0 FFAELO Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H](O)c1ccccc1)c1cccc(F)c1 ZINC000179630537 509544463 /nfs/dbraw/zinc/54/44/63/509544463.db2.gz GXSXTWJANVXQSD-HKUYNNGSSA-N 1 2 353.397 2.889 10 0 FFAELO Cc1nc(C2CCCC2)sc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173398033 509573419 /nfs/dbraw/zinc/57/34/19/509573419.db2.gz WKWPSASMBYEYGJ-CZUORRHYSA-N 1 2 363.527 2.902 10 0 FFAELO CCCN(CC)c1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173402300 509574978 /nfs/dbraw/zinc/57/49/78/509574978.db2.gz ZJIGXXMIFCOGAG-FXAWDEMLSA-N 1 2 359.514 2.716 10 0 FFAELO Cc1ccc([C@H](CNC(=O)[C@@H]2COc3ccccc32)[NH+]2CCOCC2)s1 ZINC000176549470 509576862 /nfs/dbraw/zinc/57/68/62/509576862.db2.gz MSQBHVRJCNYXEU-SJORKVTESA-N 1 2 372.490 2.722 10 0 FFAELO CCc1cc[nH+]c(Cn2cc(C(=O)OC)c3c2nc(N)nc3Cl)c1C ZINC000165738826 509582921 /nfs/dbraw/zinc/58/29/21/509582921.db2.gz GAXFBKSVHUKKHT-UHFFFAOYSA-N 1 2 359.817 2.768 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)Cc2ccccc2F)nc[nH+]1 ZINC000173418571 509586054 /nfs/dbraw/zinc/58/60/54/509586054.db2.gz WAWYLGZWJBFDRL-GOEBONIOSA-N 1 2 371.460 2.621 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)Cc2ccccc2F)[nH+]cn1 ZINC000173418571 509586061 /nfs/dbraw/zinc/58/60/61/509586061.db2.gz WAWYLGZWJBFDRL-GOEBONIOSA-N 1 2 371.460 2.621 10 0 FFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)CC[C@@H]2CCCCO2)c2cccs2)CCO1 ZINC000176580310 509594516 /nfs/dbraw/zinc/59/45/16/509594516.db2.gz HNFYPSFZCFOAND-IKGGRYGDSA-N 1 2 366.527 2.975 10 0 FFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)CC[C@@H]2CCCCO2)c2cccs2)CCO1 ZINC000176580310 509594519 /nfs/dbraw/zinc/59/45/19/509594519.db2.gz HNFYPSFZCFOAND-IKGGRYGDSA-N 1 2 366.527 2.975 10 0 FFAELO COc1ccccc1CC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176591946 509601725 /nfs/dbraw/zinc/60/17/25/509601725.db2.gz NRWOUAGUMZJADV-WBVHZDCISA-N 1 2 374.506 2.877 10 0 FFAELO COc1ccccc1CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176591946 509601734 /nfs/dbraw/zinc/60/17/34/509601734.db2.gz NRWOUAGUMZJADV-WBVHZDCISA-N 1 2 374.506 2.877 10 0 FFAELO Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCS(=O)(=O)c4ccccc43)C2=O)cc1 ZINC000186282069 509621359 /nfs/dbraw/zinc/62/13/59/509621359.db2.gz CZJHYWFLHDEOTI-ROUUACIJSA-N 1 2 370.474 2.609 10 0 FFAELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCO[C@H]4CCCC[C@H]43)c2c1 ZINC000249313786 509656759 /nfs/dbraw/zinc/65/67/59/509656759.db2.gz FDTAHWOAYOYXLU-MJGOQNOKSA-N 1 2 356.422 2.781 10 0 FFAELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCO[C@H]4CCCC[C@H]43)c2c1 ZINC000249313786 509656766 /nfs/dbraw/zinc/65/67/66/509656766.db2.gz FDTAHWOAYOYXLU-MJGOQNOKSA-N 1 2 356.422 2.781 10 0 FFAELO COc1cccc(CCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186348907 509662928 /nfs/dbraw/zinc/66/29/28/509662928.db2.gz BEEJCNFFFZZFHP-UHFFFAOYSA-N 1 2 354.454 2.555 10 0 FFAELO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173603309 509669700 /nfs/dbraw/zinc/66/97/00/509669700.db2.gz YRDZNDFSJXSUPY-OALUTQOASA-N 1 2 363.477 2.509 10 0 FFAELO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173623840 509680930 /nfs/dbraw/zinc/68/09/30/509680930.db2.gz ZJQNQDWBWLEDLB-HRCADAONSA-N 1 2 355.486 2.839 10 0 FFAELO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1nnc2n1CCCC2 ZINC000173632377 509686396 /nfs/dbraw/zinc/68/63/96/509686396.db2.gz BPCHMDJHFGLCHJ-GXTWGEPZSA-N 1 2 359.861 2.724 10 0 FFAELO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1nnc2n1CCCC2 ZINC000173632391 509687211 /nfs/dbraw/zinc/68/72/11/509687211.db2.gz BPCHMDJHFGLCHJ-TZMCWYRMSA-N 1 2 359.861 2.724 10 0 FFAELO Cc1cccc2c1N(C(=O)C(=O)N[C@H](C)c1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000173652453 509700858 /nfs/dbraw/zinc/70/08/58/509700858.db2.gz MIRROKVVEKBXID-MRXNPFEDSA-N 1 2 374.444 2.947 10 0 FFAELO CCn1cc[nH+]c1C[S@](=O)Cc1cc2c(cc1Br)OCO2 ZINC000176826265 509710881 /nfs/dbraw/zinc/71/08/81/509710881.db2.gz IJESGBKMKFECGX-OAQYLSRUSA-N 1 2 371.256 2.843 10 0 FFAELO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000189743272 509729370 /nfs/dbraw/zinc/72/93/70/509729370.db2.gz XRVBMSKBPJYVOB-GXFFZTMASA-N 1 2 357.294 2.990 10 0 FFAELO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](CCOCC(F)(F)C(F)F)C1 ZINC000189743272 509729372 /nfs/dbraw/zinc/72/93/72/509729372.db2.gz XRVBMSKBPJYVOB-GXFFZTMASA-N 1 2 357.294 2.990 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)NCc1ccc(Cl)cc1 ZINC000176890764 509747697 /nfs/dbraw/zinc/74/76/97/509747697.db2.gz RPXKMQITMJZBGW-HSZRJFAPSA-N 1 2 353.875 2.683 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@](=O)CCC(=O)NCc1ccc(F)cc1 ZINC000176894560 509750877 /nfs/dbraw/zinc/75/08/77/509750877.db2.gz QOZMSCLTQVYODK-XMMPIXPASA-N 1 2 351.447 2.558 10 0 FFAELO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000173774333 509769581 /nfs/dbraw/zinc/76/95/81/509769581.db2.gz WTMMNMPNYPCGSJ-AWEZNQCLSA-N 1 2 368.275 2.696 10 0 FFAELO CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000176945678 509779358 /nfs/dbraw/zinc/77/93/58/509779358.db2.gz HHTHPBQHVIWAFJ-UHFFFAOYSA-N 1 2 359.455 2.716 10 0 FFAELO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc3c(c2)OCO3)cs1 ZINC000189841097 509780932 /nfs/dbraw/zinc/78/09/32/509780932.db2.gz GHMSASPHZGDEOH-HNNXBMFYSA-N 1 2 359.451 2.634 10 0 FFAELO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc3c(c2)OCO3)cs1 ZINC000189841097 509780934 /nfs/dbraw/zinc/78/09/34/509780934.db2.gz GHMSASPHZGDEOH-HNNXBMFYSA-N 1 2 359.451 2.634 10 0 FFAELO C[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)C[C@H]1[NH+]1CCOCC1 ZINC000173873197 509827709 /nfs/dbraw/zinc/82/77/09/509827709.db2.gz USRXPMKUFLNIHL-WMLDXEAASA-N 1 2 358.413 2.878 10 0 FFAELO Cc1nc(-c2ccccc2)sc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173874103 509828760 /nfs/dbraw/zinc/82/87/60/509828760.db2.gz DTSKOBOEWDEZGC-RHSMWYFYSA-N 1 2 371.506 2.911 10 0 FFAELO CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(N(C)c3cccnn3)CC2)n1 ZINC000173884187 509833468 /nfs/dbraw/zinc/83/34/68/509833468.db2.gz BDKOJQZYRXQLFB-OAHLLOKOSA-N 1 2 374.489 2.694 10 0 FFAELO COc1cccc(C2(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)CCCC2)c1 ZINC000173889731 509837503 /nfs/dbraw/zinc/83/75/03/509837503.db2.gz LCYMBYVJXDNDDZ-PXNSSMCTSA-N 1 2 372.509 2.686 10 0 FFAELO COc1cccc(C2(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)CCCC2)c1 ZINC000173889715 509837756 /nfs/dbraw/zinc/83/77/56/509837756.db2.gz LCYMBYVJXDNDDZ-XLIONFOSSA-N 1 2 372.509 2.686 10 0 FFAELO CCC(CC)(CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173898657 509841959 /nfs/dbraw/zinc/84/19/59/509841959.db2.gz IHUIQBHMSWIVHN-IBGZPJMESA-N 1 2 359.514 2.861 10 0 FFAELO O=C(Nc1cccc(Oc2ccncc2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173903014 509843349 /nfs/dbraw/zinc/84/33/49/509843349.db2.gz FLOMZGKSBPNDRX-QGZVFWFLSA-N 1 2 368.437 2.812 10 0 FFAELO C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000173921267 509855095 /nfs/dbraw/zinc/85/50/95/509855095.db2.gz UBWMLARCDVUAKF-CQSZACIVSA-N 1 2 362.433 2.930 10 0 FFAELO Cc1sc(=O)n(CC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000173925345 509858768 /nfs/dbraw/zinc/85/87/68/509858768.db2.gz LRKQAWSAJALZPW-GFCCVEGCSA-N 1 2 356.451 2.590 10 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2.964 10 0 FFAELO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)cc2O1 ZINC000286371781 257033659 /nfs/dbraw/zinc/03/36/59/257033659.db2.gz YTSBGIGWNACQOY-SPYBWZPUSA-N 1 2 361.442 2.521 10 0 FFAELO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc2O1 ZINC000286371781 257033660 /nfs/dbraw/zinc/03/36/60/257033660.db2.gz YTSBGIGWNACQOY-SPYBWZPUSA-N 1 2 361.442 2.521 10 0 FFAELO COc1ccccc1C1(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCC1 ZINC000302162197 258092273 /nfs/dbraw/zinc/09/22/73/258092273.db2.gz PTGGLRZIDAIAON-MRXNPFEDSA-N 1 2 368.481 2.980 10 0 FFAELO COc1ccccc1C1(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCC1 ZINC000302162197 258092275 /nfs/dbraw/zinc/09/22/75/258092275.db2.gz PTGGLRZIDAIAON-MRXNPFEDSA-N 1 2 368.481 2.980 10 0 FFAELO Fc1ccccc1Cc1nnc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)s1 ZINC000302176983 258092842 /nfs/dbraw/zinc/09/28/42/258092842.db2.gz QZTFECFBMLMPES-GJZGRUSLSA-N 1 2 362.474 2.933 10 0 FFAELO Fc1ccccc1Cc1nnc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)s1 ZINC000302176983 258092844 /nfs/dbraw/zinc/09/28/44/258092844.db2.gz QZTFECFBMLMPES-GJZGRUSLSA-N 1 2 362.474 2.933 10 0 FFAELO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000303316217 258115154 /nfs/dbraw/zinc/11/51/54/258115154.db2.gz UEJMIZOWRNGLNJ-HZPDHXFCSA-N 1 2 356.470 2.739 10 0 FFAELO CN1C(=O)CCc2cc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)ccc21 ZINC000328665022 258117285 /nfs/dbraw/zinc/11/72/85/258117285.db2.gz YYNZSAIQQRZJDI-SFHVURJKSA-N 1 2 367.424 2.521 10 0 FFAELO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000328675073 258117527 /nfs/dbraw/zinc/11/75/27/258117527.db2.gz KJTFXEJTMSFMCD-KRWDZBQOSA-N 1 2 374.872 2.558 10 0 FFAELO CC(C)(C(N)=O)[NH+]1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000329917161 258150608 /nfs/dbraw/zinc/15/06/08/258150608.db2.gz QQTZPLSYAZTIFA-UHFFFAOYSA-N 1 2 353.850 2.638 10 0 FFAELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2 ZINC000328756728 258119688 /nfs/dbraw/zinc/11/96/88/258119688.db2.gz UKXHHCRBYIPTOB-OAHLLOKOSA-N 1 2 364.453 2.506 10 0 FFAELO O=C(c1cccc2c1OCC(=O)N2)N1CC[NH+](Cc2cccs2)CC1 ZINC000329176103 258131544 /nfs/dbraw/zinc/13/15/44/258131544.db2.gz MJOBBSIEVFHNCO-UHFFFAOYSA-N 1 2 357.435 2.687 10 0 FFAELO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000329302392 258134865 /nfs/dbraw/zinc/13/48/65/258134865.db2.gz WJMFVWGRWOAMFJ-XJKSGUPXSA-N 1 2 363.458 2.621 10 0 FFAELO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000329302392 258134866 /nfs/dbraw/zinc/13/48/66/258134866.db2.gz WJMFVWGRWOAMFJ-XJKSGUPXSA-N 1 2 363.458 2.621 10 0 FFAELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCO[C@@H]1c1ccccc1)CCC2 ZINC000332717746 258241018 /nfs/dbraw/zinc/24/10/18/258241018.db2.gz UGHUYIRLARADOV-OKZBNKHCSA-N 1 2 354.454 2.898 10 0 FFAELO C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H](c4nccs4)C3)nc[nH+]2)C1 ZINC000333071567 258248203 /nfs/dbraw/zinc/24/82/03/258248203.db2.gz AASNCRGIVGHKNY-ZNMIVQPWSA-N 1 2 359.499 2.524 10 0 FFAELO C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H](c4nccs4)C3)[nH+]cn2)C1 ZINC000333071567 258248204 /nfs/dbraw/zinc/24/82/04/258248204.db2.gz AASNCRGIVGHKNY-ZNMIVQPWSA-N 1 2 359.499 2.524 10 0 FFAELO CCc1nc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)sc1C ZINC000333093408 258249468 /nfs/dbraw/zinc/24/94/68/258249468.db2.gz BQPJAHWCTDKQAU-AWEZNQCLSA-N 1 2 352.504 2.588 10 0 FFAELO CCc1nc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)sc1C ZINC000333093408 258249469 /nfs/dbraw/zinc/24/94/69/258249469.db2.gz BQPJAHWCTDKQAU-AWEZNQCLSA-N 1 2 352.504 2.588 10 0 FFAELO CC(C)c1noc([C@@H]2CCCC[N@@H+]2Cc2cc(=O)n3ccccc3n2)n1 ZINC000065286334 506282921 /nfs/dbraw/zinc/28/29/21/506282921.db2.gz DLICERVGAAQIFQ-HNNXBMFYSA-N 1 2 353.426 2.928 10 0 FFAELO CC(C)c1noc([C@@H]2CCCC[N@H+]2Cc2cc(=O)n3ccccc3n2)n1 ZINC000065286334 506282926 /nfs/dbraw/zinc/28/29/26/506282926.db2.gz DLICERVGAAQIFQ-HNNXBMFYSA-N 1 2 353.426 2.928 10 0 FFAELO Cc1cccc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3ccoc32)c1 ZINC000035843794 506390219 /nfs/dbraw/zinc/39/02/19/506390219.db2.gz WNOVUTTUVDIXRZ-UHFFFAOYSA-N 1 2 367.449 2.653 10 0 FFAELO Cc1ccc(C[N@H+](C)CC(=O)NCCc2ccc(OC(F)F)cc2)o1 ZINC000007696610 506582498 /nfs/dbraw/zinc/58/24/98/506582498.db2.gz MZWVHGYJPMQPKE-UHFFFAOYSA-N 1 2 352.381 2.980 10 0 FFAELO Cc1ccc(C[N@@H+](C)CC(=O)NCCc2ccc(OC(F)F)cc2)o1 ZINC000007696610 506582504 /nfs/dbraw/zinc/58/25/04/506582504.db2.gz MZWVHGYJPMQPKE-UHFFFAOYSA-N 1 2 352.381 2.980 10 0 FFAELO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)o1 ZINC000007915095 506601243 /nfs/dbraw/zinc/60/12/43/506601243.db2.gz MRWUOYHZEVSZQT-MRXNPFEDSA-N 1 2 357.454 2.780 10 0 FFAELO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)o1 ZINC000007915095 506601246 /nfs/dbraw/zinc/60/12/46/506601246.db2.gz MRWUOYHZEVSZQT-MRXNPFEDSA-N 1 2 357.454 2.780 10 0 FFAELO CCCC(=O)Nc1cccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1C ZINC000067584881 506937987 /nfs/dbraw/zinc/93/79/87/506937987.db2.gz RSEHCACWPKHJLR-CQSZACIVSA-N 1 2 362.474 2.576 10 0 FFAELO C[C@H](CNC(=O)NCCc1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000047675402 507378322 /nfs/dbraw/zinc/37/83/22/507378322.db2.gz SEZSNNWLTWJMEB-GFCCVEGCSA-N 1 2 360.285 2.556 10 0 FFAELO O=C(C[NH+]1CCN(c2ccccc2O)CC1)N1CCC[C@H]1c1cccs1 ZINC000029636162 507785290 /nfs/dbraw/zinc/78/52/90/507785290.db2.gz STECFQNJVYFHGQ-KRWDZBQOSA-N 1 2 371.506 2.939 10 0 FFAELO CCCn1c(C)c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c2cc(OC)ccc21 ZINC000029960760 507797490 /nfs/dbraw/zinc/79/74/90/507797490.db2.gz UDQUBEUKLPCTKL-OAHLLOKOSA-N 1 2 373.497 2.819 10 0 FFAELO Clc1cccc(-c2nnc(C[NH+]3CCN(c4cccnn4)CC3)o2)c1 ZINC000106860519 507824277 /nfs/dbraw/zinc/82/42/77/507824277.db2.gz LIDFVEUXEVVBHC-UHFFFAOYSA-N 1 2 356.817 2.502 10 0 FFAELO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)nc2ccccc12 ZINC000107897053 507872708 /nfs/dbraw/zinc/87/27/08/507872708.db2.gz XXTBRDCPOPUZMR-CQSZACIVSA-N 1 2 370.478 2.779 10 0 FFAELO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)nc2ccccc12 ZINC000107897053 507872710 /nfs/dbraw/zinc/87/27/10/507872710.db2.gz XXTBRDCPOPUZMR-CQSZACIVSA-N 1 2 370.478 2.779 10 0 FFAELO CCOC(=O)CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000089903193 507881445 /nfs/dbraw/zinc/88/14/45/507881445.db2.gz DYTDWDZPEZVKGY-GJZGRUSLSA-N 1 2 358.442 2.964 10 0 FFAELO O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109084777 507937301 /nfs/dbraw/zinc/93/73/01/507937301.db2.gz JBHYPPAFWQQRFR-LSDHHAIUSA-N 1 2 354.360 2.965 10 0 FFAELO CCOC(=O)c1cccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000079217136 507944496 /nfs/dbraw/zinc/94/44/96/507944496.db2.gz IWSIHUZLUIQUNQ-UHFFFAOYSA-N 1 2 365.393 2.766 10 0 FFAELO COc1cc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)ccc1SC ZINC000109328998 507955225 /nfs/dbraw/zinc/95/52/25/507955225.db2.gz BYXQAEHXDMOQSU-ZDUSSCGKSA-N 1 2 362.499 2.987 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)nc3)CC2)cs1 ZINC000109649983 507975163 /nfs/dbraw/zinc/97/51/63/507975163.db2.gz URGJANPXEAVDMR-UHFFFAOYSA-N 1 2 350.875 2.848 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)nc3)CC2)cs1 ZINC000109649983 507975165 /nfs/dbraw/zinc/97/51/65/507975165.db2.gz URGJANPXEAVDMR-UHFFFAOYSA-N 1 2 350.875 2.848 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)cs1 ZINC000109650543 507975488 /nfs/dbraw/zinc/97/54/88/507975488.db2.gz UINKXISXDHHXLK-UHFFFAOYSA-N 1 2 361.515 2.751 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)cs1 ZINC000109650543 507975492 /nfs/dbraw/zinc/97/54/92/507975492.db2.gz UINKXISXDHHXLK-UHFFFAOYSA-N 1 2 361.515 2.751 10 0 FFAELO CCc1nc(CC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)cs1 ZINC000109650983 507975755 /nfs/dbraw/zinc/97/57/55/507975755.db2.gz WOXFHGUILSHBMM-UHFFFAOYSA-N 1 2 364.540 2.747 10 0 FFAELO CCc1nc(CC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)cs1 ZINC000109650983 507975756 /nfs/dbraw/zinc/97/57/56/507975756.db2.gz WOXFHGUILSHBMM-UHFFFAOYSA-N 1 2 364.540 2.747 10 0 FFAELO C[C@H]1CCc2c(C(=O)N3CCC[N@H+](Cc4cnn(C)c4)CC3)csc2C1 ZINC000109655474 507976615 /nfs/dbraw/zinc/97/66/15/507976615.db2.gz QCAIZAIHDPRIRH-HNNXBMFYSA-N 1 2 372.538 2.955 10 0 FFAELO C[C@H]1CCc2c(C(=O)N3CCC[N@@H+](Cc4cnn(C)c4)CC3)csc2C1 ZINC000109655474 507976618 /nfs/dbraw/zinc/97/66/18/507976618.db2.gz QCAIZAIHDPRIRH-HNNXBMFYSA-N 1 2 372.538 2.955 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cn1 ZINC000109664769 507978051 /nfs/dbraw/zinc/97/80/51/507978051.db2.gz WGOBTTVDDIQEDM-GOSISDBHSA-N 1 2 370.497 2.795 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cn1 ZINC000109664769 507978053 /nfs/dbraw/zinc/97/80/53/507978053.db2.gz WGOBTTVDDIQEDM-GOSISDBHSA-N 1 2 370.497 2.795 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)n3)CC2)cn1 ZINC000109664257 507978186 /nfs/dbraw/zinc/97/81/86/507978186.db2.gz ZIHAPFMAMLLCKL-UHFFFAOYSA-N 1 2 361.877 2.690 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)n3)CC2)cn1 ZINC000109664257 507978188 /nfs/dbraw/zinc/97/81/88/507978188.db2.gz ZIHAPFMAMLLCKL-UHFFFAOYSA-N 1 2 361.877 2.690 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](OC)c3ccccc3)CC2)cn1 ZINC000109663846 507978403 /nfs/dbraw/zinc/97/84/03/507978403.db2.gz JWBVDNBPCYFIBF-HXUWFJFHSA-N 1 2 370.497 2.715 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H](OC)c3ccccc3)CC2)cn1 ZINC000109663846 507978407 /nfs/dbraw/zinc/97/84/07/507978407.db2.gz JWBVDNBPCYFIBF-HXUWFJFHSA-N 1 2 370.497 2.715 10 0 FFAELO CCc1ccc(-c2noc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)n2)cc1 ZINC000109820558 507989719 /nfs/dbraw/zinc/98/97/19/507989719.db2.gz WDFWNXKUHXZYNJ-LJQANCHMSA-N 1 2 370.497 2.986 10 0 FFAELO C[N@H+](CC(=O)NC1CCCCC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000110032373 508002029 /nfs/dbraw/zinc/00/20/29/508002029.db2.gz AEGVAERWGCGMPH-KRWDZBQOSA-N 1 2 363.889 2.826 10 0 FFAELO C[N@@H+](CC(=O)NC1CCCCC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000110032373 508002032 /nfs/dbraw/zinc/00/20/32/508002032.db2.gz AEGVAERWGCGMPH-KRWDZBQOSA-N 1 2 363.889 2.826 10 0 FFAELO C[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1Cl)[NH+]1CCOCC1 ZINC000079981882 508022377 /nfs/dbraw/zinc/02/23/77/508022377.db2.gz XSFMDCTXAHEZNV-RHSMWYFYSA-N 1 2 351.878 2.907 10 0 FFAELO C[C@H]1CCCN(c2cc(NCc3cccc(CS(C)(=O)=O)c3)[nH+]cn2)C1 ZINC000110410894 508026784 /nfs/dbraw/zinc/02/67/84/508026784.db2.gz COXUXYCRIZRZAE-HNNXBMFYSA-N 1 2 374.510 2.870 10 0 FFAELO C[C@H]1CCCN(c2cc(NCc3cccc(CS(C)(=O)=O)c3)nc[nH+]2)C1 ZINC000110410894 508026786 /nfs/dbraw/zinc/02/67/86/508026786.db2.gz COXUXYCRIZRZAE-HNNXBMFYSA-N 1 2 374.510 2.870 10 0 FFAELO Cc1n[nH]cc1CCCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634809 508090442 /nfs/dbraw/zinc/09/04/42/508090442.db2.gz BCEFJCRCGSPXHV-AWEZNQCLSA-N 1 2 352.442 2.897 10 0 FFAELO Cc1nc(C)n(C[C@H]2CCCN(c3cc(C)[nH+]c(-c4ccncc4)n3)C2)n1 ZINC000112080676 508149668 /nfs/dbraw/zinc/14/96/68/508149668.db2.gz AHARBTNYMIMWDJ-KRWDZBQOSA-N 1 2 363.469 2.972 10 0 FFAELO O=C(C[N@@H+]1CCCN(C(=O)c2cccs2)CC1)NCC1CCCCC1 ZINC000112352208 508177294 /nfs/dbraw/zinc/17/72/94/508177294.db2.gz ATXDHURKUKCSRH-UHFFFAOYSA-N 1 2 363.527 2.593 10 0 FFAELO O=C(C[N@H+]1CCCN(C(=O)c2cccs2)CC1)NCC1CCCCC1 ZINC000112352208 508177295 /nfs/dbraw/zinc/17/72/95/508177295.db2.gz ATXDHURKUKCSRH-UHFFFAOYSA-N 1 2 363.527 2.593 10 0 FFAELO CCOc1ccc(OCC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000112666381 508206881 /nfs/dbraw/zinc/20/68/81/508206881.db2.gz KIFKMGNNJYIIBP-UHFFFAOYSA-N 1 2 357.454 2.906 10 0 FFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C(C)=O)c3)CC2)cn1 ZINC000112713112 508214030 /nfs/dbraw/zinc/21/40/30/508214030.db2.gz BHPHZWALLGSGRM-UHFFFAOYSA-N 1 2 369.469 2.845 10 0 FFAELO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3cccc(C(C)=O)c3)CC2)cn1 ZINC000112713112 508214034 /nfs/dbraw/zinc/21/40/34/508214034.db2.gz BHPHZWALLGSGRM-UHFFFAOYSA-N 1 2 369.469 2.845 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1COc3ccccc3C1)C2 ZINC000112744422 508219071 /nfs/dbraw/zinc/21/90/71/508219071.db2.gz MAHVMLDNLAIKAA-HNNXBMFYSA-N 1 2 354.454 2.615 10 0 FFAELO C[C@H](NC(=O)C(=O)Nc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076661891 508238483 /nfs/dbraw/zinc/23/84/83/508238483.db2.gz JJKTVIOHRSHYRX-ZDUSSCGKSA-N 1 2 352.369 2.827 10 0 FFAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)N(C)Cc1ccccc1Br ZINC000077369678 508306022 /nfs/dbraw/zinc/30/60/22/508306022.db2.gz JLYDCLSMPIRRQL-CHWSQXEVSA-N 1 2 355.276 2.517 10 0 FFAELO CCOc1cccc2cc([C@@H](C)NC(=O)NC[C@@H]3C[N@H+](C)CCO3)oc21 ZINC000104780201 508346134 /nfs/dbraw/zinc/34/61/34/508346134.db2.gz BSSKWECQIXCSNX-UKRRQHHQSA-N 1 2 361.442 2.522 10 0 FFAELO CCOc1cccc2cc([C@@H](C)NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)oc21 ZINC000104780201 508346137 /nfs/dbraw/zinc/34/61/37/508346137.db2.gz BSSKWECQIXCSNX-UKRRQHHQSA-N 1 2 361.442 2.522 10 0 FFAELO CCCOc1cccc(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1 ZINC000115388314 508390694 /nfs/dbraw/zinc/39/06/94/508390694.db2.gz CDXYQNRBNLXCCI-UHFFFAOYSA-N 1 2 370.497 2.784 10 0 FFAELO Cc1ncc(C[NH+]2CCN(CC(=O)N(C)Cc3ccccc3C)CC2)s1 ZINC000106090566 508392537 /nfs/dbraw/zinc/39/25/37/508392537.db2.gz GLIHKGSGPUBACZ-UHFFFAOYSA-N 1 2 372.538 2.536 10 0 FFAELO C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160482 508396449 /nfs/dbraw/zinc/39/64/49/508396449.db2.gz PAIWUAXHKUOBCQ-MRXNPFEDSA-N 1 2 367.559 2.606 10 0 FFAELO C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160482 508396450 /nfs/dbraw/zinc/39/64/50/508396450.db2.gz PAIWUAXHKUOBCQ-MRXNPFEDSA-N 1 2 367.559 2.606 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Cl)c(F)c2)nc[nH+]1 ZINC000156424004 508418959 /nfs/dbraw/zinc/41/89/59/508418959.db2.gz SFJDTWBFDWMJPG-GFCCVEGCSA-N 1 2 363.824 2.710 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Cl)c(F)c2)[nH+]cn1 ZINC000156424004 508418961 /nfs/dbraw/zinc/41/89/61/508418961.db2.gz SFJDTWBFDWMJPG-GFCCVEGCSA-N 1 2 363.824 2.710 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H](C)c2ccc(C)cc2)CC1 ZINC000115657924 508422611 /nfs/dbraw/zinc/42/26/11/508422611.db2.gz SWXQNAQBYGODMP-MRXNPFEDSA-N 1 2 369.513 2.934 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(OCC(F)F)n1)C2 ZINC000127528268 508463370 /nfs/dbraw/zinc/46/33/70/508463370.db2.gz ZVVJOHMZFNBLKO-UHFFFAOYSA-N 1 2 364.396 2.781 10 0 FFAELO Cc1ccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c(Br)c1 ZINC000122268881 508509806 /nfs/dbraw/zinc/50/98/06/508509806.db2.gz ZNDJBCVLSZAZDP-OAHLLOKOSA-N 1 2 350.260 2.855 10 0 FFAELO Cc1ccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c(Br)c1 ZINC000122268881 508509808 /nfs/dbraw/zinc/50/98/08/508509808.db2.gz ZNDJBCVLSZAZDP-OAHLLOKOSA-N 1 2 350.260 2.855 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H](C)c3cccnc3)CC2)cs1 ZINC000116523071 508524685 /nfs/dbraw/zinc/52/46/85/508524685.db2.gz PCVVSOKCBGWMRR-AWEZNQCLSA-N 1 2 359.499 2.825 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)c3cccnc3)CC2)cs1 ZINC000116523071 508524689 /nfs/dbraw/zinc/52/46/89/508524689.db2.gz PCVVSOKCBGWMRR-AWEZNQCLSA-N 1 2 359.499 2.825 10 0 FFAELO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000157227838 508540167 /nfs/dbraw/zinc/54/01/67/508540167.db2.gz BMHKAWWWTMQUKZ-SJORKVTESA-N 1 2 363.502 2.692 10 0 FFAELO Cc1cncc(/C=C/C(=O)N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000128406807 508589059 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CC[N@@H+](CCCNC(=O)N[C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000158449734 508705913 /nfs/dbraw/zinc/70/59/13/508705913.db2.gz MDVYNHUMQICLLO-MRXNPFEDSA-N 1 2 370.501 2.891 10 0 FFAELO C[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1nc(C(C)(C)C)no1 ZINC000154135620 508723277 /nfs/dbraw/zinc/72/32/77/508723277.db2.gz BUHNDEADOFPOTE-JSGCOSHPSA-N 1 2 359.430 2.686 10 0 FFAELO O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000119206223 508748148 /nfs/dbraw/zinc/74/81/48/508748148.db2.gz REABHSWGLYLMDS-IEBWSBKVSA-N 1 2 361.461 2.709 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCc1ccc(Cl)nc1)C2 ZINC000119240119 508754639 /nfs/dbraw/zinc/75/46/39/508754639.db2.gz NULHEYZMZFHCJD-UHFFFAOYSA-N 1 2 361.877 2.902 10 0 FFAELO Cc1cccc(-c2cncc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)c2)c1 ZINC000158821046 508755890 /nfs/dbraw/zinc/75/58/90/508755890.db2.gz YGNPFYVMKCALOA-HXUWFJFHSA-N 1 2 351.450 2.604 10 0 FFAELO Cc1nc([C@@H](NC(=O)N(C)CCCn2cc[nH+]c2)c2ccccc2F)no1 ZINC000124169190 508792279 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Cc1cccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1Br ZINC000125074320 508926971 /nfs/dbraw/zinc/92/69/71/508926971.db2.gz QWMWGHOKPDQXGZ-DZGCQCFKSA-N 1 2 367.287 2.550 10 0 FFAELO Cc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1Br ZINC000125074529 508927351 /nfs/dbraw/zinc/92/73/51/508927351.db2.gz QWMWGHOKPDQXGZ-UKRRQHHQSA-N 1 2 367.287 2.550 10 0 FFAELO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131512888 508942845 /nfs/dbraw/zinc/94/28/45/508942845.db2.gz SWZCDJOPKGXZDX-LJQANCHMSA-N 1 2 368.481 2.691 10 0 FFAELO COc1cccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)[nH]2)c1 ZINC000155275954 508964331 /nfs/dbraw/zinc/96/43/31/508964331.db2.gz VBBVODMUDYGFAF-MRXNPFEDSA-N 1 2 365.437 2.895 10 0 FFAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000125341684 508968517 /nfs/dbraw/zinc/96/85/17/508968517.db2.gz ZJZUQPDQPSUNSZ-MAUKXSAKSA-N 1 2 366.469 2.855 10 0 FFAELO Cc1cccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1Br ZINC000155334258 508979940 /nfs/dbraw/zinc/97/99/40/508979940.db2.gz DTUKSFWBJVHVRS-CYBMUJFWSA-N 1 2 373.316 2.616 10 0 FFAELO Cc1cccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1Br ZINC000155334258 508979942 /nfs/dbraw/zinc/97/99/42/508979942.db2.gz DTUKSFWBJVHVRS-CYBMUJFWSA-N 1 2 373.316 2.616 10 0 FFAELO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000155396462 508992582 /nfs/dbraw/zinc/99/25/82/508992582.db2.gz ZKBIAGHWUNBIAC-OAHLLOKOSA-N 1 2 363.259 2.578 10 0 FFAELO C[C@H](O)C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000155682784 509051955 /nfs/dbraw/zinc/05/19/55/509051955.db2.gz BCHOIFMCAJUYBM-YTQUADARSA-N 1 2 356.470 2.612 10 0 FFAELO COCCN1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C[C@H]1C ZINC000120842695 509074075 /nfs/dbraw/zinc/07/40/75/509074075.db2.gz LBVLZHSUNAZNIM-OAHLLOKOSA-N 1 2 360.477 2.781 10 0 FFAELO COCCN1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C[C@H]1C ZINC000120842695 509074078 /nfs/dbraw/zinc/07/40/78/509074078.db2.gz LBVLZHSUNAZNIM-OAHLLOKOSA-N 1 2 360.477 2.781 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Sc3ccccc3)cc2)C1 ZINC000120909244 509087364 /nfs/dbraw/zinc/08/73/64/509087364.db2.gz HQCLUTWCEXZALH-KRWDZBQOSA-N 1 2 371.506 2.968 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Sc3ccccc3)cc2)C1 ZINC000120909244 509087365 /nfs/dbraw/zinc/08/73/65/509087365.db2.gz HQCLUTWCEXZALH-KRWDZBQOSA-N 1 2 371.506 2.968 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000121009063 509109259 /nfs/dbraw/zinc/10/92/59/509109259.db2.gz MSGVBFXOBFNWAG-MOPGFXCFSA-N 1 2 358.530 2.898 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)cs1 ZINC000126689779 509113624 /nfs/dbraw/zinc/11/36/24/509113624.db2.gz TXWXYUXRTYBDTA-HNNXBMFYSA-N 1 2 371.597 2.725 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)cs1 ZINC000126689779 509113626 /nfs/dbraw/zinc/11/36/26/509113626.db2.gz TXWXYUXRTYBDTA-HNNXBMFYSA-N 1 2 371.597 2.725 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)cs1 ZINC000133288603 509143144 /nfs/dbraw/zinc/14/31/44/509143144.db2.gz SPFYGIMERJFQPX-LJQANCHMSA-N 1 2 371.506 2.800 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)cs1 ZINC000133288603 509143147 /nfs/dbraw/zinc/14/31/47/509143147.db2.gz SPFYGIMERJFQPX-LJQANCHMSA-N 1 2 371.506 2.800 10 0 FFAELO CCc1noc([C@H](C)N2CC[NH+](Cc3ccccc3OCCOC)CC2)n1 ZINC000121406334 509172426 /nfs/dbraw/zinc/17/24/26/509172426.db2.gz MMXUJXUXINXKLI-INIZCTEOSA-N 1 2 374.485 2.536 10 0 FFAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(OCCOC)cc3)CC2)n1 ZINC000121412592 509172608 /nfs/dbraw/zinc/17/26/08/509172608.db2.gz HWYRWMCMDSPRAW-MRXNPFEDSA-N 1 2 374.485 2.536 10 0 FFAELO CCOc1ccnc(N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000121521502 509177528 /nfs/dbraw/zinc/17/75/28/509177528.db2.gz YUUKKLMJEKRHPZ-UHFFFAOYSA-N 1 2 364.453 2.588 10 0 FFAELO Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@@H](n4cncn4)C3)nc(N)c2c1C ZINC000247873206 509183505 /nfs/dbraw/zinc/18/35/05/509183505.db2.gz XYZJAAKNYCKKFH-DGCLKSJQSA-N 1 2 357.487 2.880 10 0 FFAELO 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/nfs/dbraw/zinc/22/12/26/509221226.db2.gz RFHGACITVKDRJO-RHSMWYFYSA-N 1 2 370.415 2.817 10 0 FFAELO O=C([C@H](Oc1ccccc1)c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767417 509222207 /nfs/dbraw/zinc/22/22/07/509222207.db2.gz CFTFVRJGWHRUPC-TZIWHRDSSA-N 1 2 366.461 2.740 10 0 FFAELO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000172767505 509223627 /nfs/dbraw/zinc/22/36/27/509223627.db2.gz OUADXWGCZDRJIU-ZWKOTPCHSA-N 1 2 360.498 2.819 10 0 FFAELO O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172768315 509224431 /nfs/dbraw/zinc/22/44/31/509224431.db2.gz AAROCDCMRSTWIF-OAHLLOKOSA-N 1 2 361.829 2.542 10 0 FFAELO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Cl)cc1F ZINC000191892305 509234095 /nfs/dbraw/zinc/23/40/95/509234095.db2.gz GHXCPELJEYRJLL-CQSZACIVSA-N 1 2 354.853 2.690 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1nc3c(s1)COCC3)C2 ZINC000185623447 509271152 /nfs/dbraw/zinc/27/11/52/509271152.db2.gz ONLHYVIEBGREIY-UHFFFAOYSA-N 1 2 361.471 2.663 10 0 FFAELO CCOCCN(CC)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000248370734 509279311 /nfs/dbraw/zinc/27/93/11/509279311.db2.gz XWFVRTJIAMGMGG-JKSUJKDBSA-N 1 2 369.531 2.578 10 0 FFAELO CCOCCN(CC)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000248370734 509279314 /nfs/dbraw/zinc/27/93/14/509279314.db2.gz XWFVRTJIAMGMGG-JKSUJKDBSA-N 1 2 369.531 2.578 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000248430736 509315790 /nfs/dbraw/zinc/31/57/90/509315790.db2.gz RZRSJQFWDFMBOS-HUUCEWRRSA-N 1 2 366.889 2.728 10 0 FFAELO COCC[N@H+]1CCN(C(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000248430736 509315793 /nfs/dbraw/zinc/31/57/93/509315793.db2.gz RZRSJQFWDFMBOS-HUUCEWRRSA-N 1 2 366.889 2.728 10 0 FFAELO CCCn1cc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000248452051 509327224 /nfs/dbraw/zinc/32/72/24/509327224.db2.gz PSKDAZMMZTWEQG-HOCLYGCPSA-N 1 2 362.499 2.546 10 0 FFAELO CCCn1cc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000248452051 509327228 /nfs/dbraw/zinc/32/72/28/509327228.db2.gz PSKDAZMMZTWEQG-HOCLYGCPSA-N 1 2 362.499 2.546 10 0 FFAELO C[C@@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)c1ccc(N2CCCC2=O)cc1 ZINC000176125938 509335195 /nfs/dbraw/zinc/33/51/95/509335195.db2.gz LCOCSHSCQVOCHO-PBHICJAKSA-N 1 2 352.438 2.765 10 0 FFAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176147375 509347350 /nfs/dbraw/zinc/34/73/50/509347350.db2.gz SZXKUVOOKRSBFF-GOSISDBHSA-N 1 2 354.429 2.534 10 0 FFAELO CC[C@@H]1C[C@H](C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CCO1 ZINC000248550286 509358544 /nfs/dbraw/zinc/35/85/44/509358544.db2.gz KIMCGHCQSFQSBA-BRWVUGGUSA-N 1 2 366.527 2.785 10 0 FFAELO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)no2)c(F)c1 ZINC000189031927 509378533 /nfs/dbraw/zinc/37/85/33/509378533.db2.gz KJZGBMYGOZJFNN-GFCCVEGCSA-N 1 2 360.368 2.519 10 0 FFAELO Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)no2)c(F)c1 ZINC000189031927 509378535 /nfs/dbraw/zinc/37/85/35/509378535.db2.gz KJZGBMYGOZJFNN-GFCCVEGCSA-N 1 2 360.368 2.519 10 0 FFAELO CC(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)no1 ZINC000248589869 509379399 /nfs/dbraw/zinc/37/93/99/509379399.db2.gz KSWUBTJHCZQOFZ-BFHYXJOUSA-N 1 2 350.463 2.928 10 0 FFAELO CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)no1 ZINC000248589869 509379404 /nfs/dbraw/zinc/37/94/04/509379404.db2.gz KSWUBTJHCZQOFZ-BFHYXJOUSA-N 1 2 350.463 2.928 10 0 FFAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179350501 509392459 /nfs/dbraw/zinc/39/24/59/509392459.db2.gz IVONSEHBHPQQPS-QZTJIDSGSA-N 1 2 367.497 2.561 10 0 FFAELO CCCc1nc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)no1 ZINC000248629525 509402611 /nfs/dbraw/zinc/40/26/11/509402611.db2.gz VZAAGVBOEJPZJG-IHRRRGAJSA-N 1 2 350.463 2.757 10 0 FFAELO CCCc1nc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)no1 ZINC000248629525 509402616 /nfs/dbraw/zinc/40/26/16/509402616.db2.gz VZAAGVBOEJPZJG-IHRRRGAJSA-N 1 2 350.463 2.757 10 0 FFAELO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000185891112 509410099 /nfs/dbraw/zinc/41/00/99/509410099.db2.gz BKEONEMXBIOTAM-GFCCVEGCSA-N 1 2 362.779 2.906 10 0 FFAELO COc1ccc(NC(C)=O)cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176337372 509454495 /nfs/dbraw/zinc/45/44/95/509454495.db2.gz QOYXNIIVOLAUDQ-OAHLLOKOSA-N 1 2 357.414 2.547 10 0 FFAELO CC(C)(C)OC(=O)NC1CCC(NC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000176414352 509496408 /nfs/dbraw/zinc/49/64/08/509496408.db2.gz RMLBKQXYDMWRHL-YMAMQOFZSA-N 1 2 362.474 2.713 10 0 FFAELO Cc1cc(OCC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc(C)c1Cl ZINC000164409239 509498994 /nfs/dbraw/zinc/49/89/94/509498994.db2.gz SETJXYZLTPZCBO-DOTOQJQBSA-N 1 2 366.889 2.515 10 0 FFAELO C[C@H](NC(=O)c1ccccc1-n1ccnn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000182928053 509500525 /nfs/dbraw/zinc/50/05/25/509500525.db2.gz FSXLCKRAHZCARJ-HNNXBMFYSA-N 1 2 358.405 2.944 10 0 FFAELO CCOc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c2ncccc12 ZINC000186069785 509507470 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/nfs/dbraw/zinc/58/98/72/509589872.db2.gz QVBNHCACOPBIJM-OAHLLOKOSA-N 1 2 366.469 2.568 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCc3c2cccc3C)[nH+]cn1 ZINC000173425255 509589874 /nfs/dbraw/zinc/58/98/74/509589874.db2.gz QVBNHCACOPBIJM-OAHLLOKOSA-N 1 2 366.469 2.568 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)Cc2cccc(F)c2)nc[nH+]1 ZINC000173441246 509601827 /nfs/dbraw/zinc/60/18/27/509601827.db2.gz KTLDVABMQZJZCP-YOEHRIQHSA-N 1 2 371.460 2.621 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)Cc2cccc(F)c2)[nH+]cn1 ZINC000173441246 509601837 /nfs/dbraw/zinc/60/18/37/509601837.db2.gz KTLDVABMQZJZCP-YOEHRIQHSA-N 1 2 371.460 2.621 10 0 FFAELO C[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCO2 ZINC000186314034 509641675 /nfs/dbraw/zinc/64/16/75/509641675.db2.gz AXUYCBRZWSQFIY-OAHLLOKOSA-N 1 2 368.437 2.793 10 0 FFAELO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCC[C@H](NC(C)=O)C3)cs2)c1 ZINC000173540526 509646471 /nfs/dbraw/zinc/64/64/71/509646471.db2.gz JNGDQOXCWJIZFR-INIZCTEOSA-N 1 2 373.478 2.697 10 0 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/nfs/dbraw/zinc/15/21/93/510152193.db2.gz QDBLZJITAFZFSF-RBUKOAKNSA-N 1 2 374.435 2.989 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000184205174 510192277 /nfs/dbraw/zinc/19/22/77/510192277.db2.gz YEVXBZSUHWXHPD-HZPDHXFCSA-N 1 2 352.475 2.980 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000184205174 510192282 /nfs/dbraw/zinc/19/22/82/510192282.db2.gz YEVXBZSUHWXHPD-HZPDHXFCSA-N 1 2 352.475 2.980 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1cccnc1OC1CCCC1 ZINC000184259564 510224784 /nfs/dbraw/zinc/22/47/84/510224784.db2.gz GWYYMBKEBFCZRV-GOSISDBHSA-N 1 2 361.486 2.520 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1cccnc1OC1CCCC1 ZINC000184259564 510224788 /nfs/dbraw/zinc/22/47/88/510224788.db2.gz GWYYMBKEBFCZRV-GOSISDBHSA-N 1 2 361.486 2.520 10 0 FFAELO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000181006014 510233783 /nfs/dbraw/zinc/23/37/83/510233783.db2.gz IFUDDJDTKGEVDK-DLBZAZTESA-N 1 2 368.543 2.997 10 0 FFAELO CC1(C)CCCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000194146357 510238110 /nfs/dbraw/zinc/23/81/10/510238110.db2.gz NQIVTGVQDBGXCS-ICSRJNTNSA-N 1 2 374.525 2.787 10 0 FFAELO O=C(N[C@@H](CCCO)c1ccccc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184294846 510246018 /nfs/dbraw/zinc/24/60/18/510246018.db2.gz RIJMHTQEDGSBPV-IBGZPJMESA-N 1 2 368.481 2.817 10 0 FFAELO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177782182 510250475 /nfs/dbraw/zinc/25/04/75/510250475.db2.gz JULKKCTWNLYDOG-MRXNPFEDSA-N 1 2 352.442 2.731 10 0 FFAELO COC(=O)C1CCC(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000184368701 510288957 /nfs/dbraw/zinc/28/89/57/510288957.db2.gz VTWGTALALYEFRL-FHERZECASA-N 1 2 364.511 2.933 10 0 FFAELO CCc1noc([C@H](C)N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)n1 ZINC000174783468 510310141 /nfs/dbraw/zinc/31/01/41/510310141.db2.gz DRRMGCKURLSTPZ-BBRMVZONSA-N 1 2 364.877 2.698 10 0 FFAELO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000246146481 510321202 /nfs/dbraw/zinc/32/12/02/510321202.db2.gz OWXPQXQOJZMJSU-CHWSQXEVSA-N 1 2 362.865 2.553 10 0 FFAELO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000246146481 510321206 /nfs/dbraw/zinc/32/12/06/510321206.db2.gz OWXPQXQOJZMJSU-CHWSQXEVSA-N 1 2 362.865 2.553 10 0 FFAELO CCn1cc([C@H]2C[N@H+](Cc3cc(=O)oc4cc(C)ccc34)CCO2)cn1 ZINC000190768573 510333828 /nfs/dbraw/zinc/33/38/28/510333828.db2.gz LGYHFTVNCJQDIN-LJQANCHMSA-N 1 2 353.422 2.891 10 0 FFAELO CCn1cc([C@H]2C[N@@H+](Cc3cc(=O)oc4cc(C)ccc34)CCO2)cn1 ZINC000190768573 510333834 /nfs/dbraw/zinc/33/38/34/510333834.db2.gz LGYHFTVNCJQDIN-LJQANCHMSA-N 1 2 353.422 2.891 10 0 FFAELO CSc1cccc(C)c1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190771261 510334817 /nfs/dbraw/zinc/33/48/17/510334817.db2.gz LWQKPAKURPFRKB-CQSZACIVSA-N 1 2 358.467 2.543 10 0 FFAELO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174855074 510346490 /nfs/dbraw/zinc/34/64/90/510346490.db2.gz MSKPAWXWTBOPHI-MOPGFXCFSA-N 1 2 362.433 2.996 10 0 FFAELO Cc1ccc([C@H](CNC(=O)[C@@H]2CC2(Cl)Cl)[NH+]2CCOCC2)s1 ZINC000177973972 510354326 /nfs/dbraw/zinc/35/43/26/510354326.db2.gz GUSUYWBNGMAZJZ-RYUDHWBXSA-N 1 2 363.310 2.740 10 0 FFAELO CCn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(C(C)=O)cc3)CCO2)cn1 ZINC000190817847 510359192 /nfs/dbraw/zinc/35/91/92/510359192.db2.gz NFXGKXROXSVTJP-IBGZPJMESA-N 1 2 370.453 2.508 10 0 FFAELO CCn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C(C)=O)cc3)CCO2)cn1 ZINC000190817847 510359199 /nfs/dbraw/zinc/35/91/99/510359199.db2.gz NFXGKXROXSVTJP-IBGZPJMESA-N 1 2 370.453 2.508 10 0 FFAELO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000246213932 510367938 /nfs/dbraw/zinc/36/79/38/510367938.db2.gz ZPMOLBFLRGVXTC-CHWSQXEVSA-N 1 2 363.412 2.783 10 0 FFAELO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000246213932 510367941 /nfs/dbraw/zinc/36/79/41/510367941.db2.gz ZPMOLBFLRGVXTC-CHWSQXEVSA-N 1 2 363.412 2.783 10 0 FFAELO COc1ccc(F)cc1CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000187726699 510402926 /nfs/dbraw/zinc/40/29/26/510402926.db2.gz ASODYKVOXWJARV-UHFFFAOYSA-N 1 2 358.417 2.651 10 0 FFAELO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)[NH+]2CCOCC2)s1 ZINC000174996483 510427065 /nfs/dbraw/zinc/42/70/65/510427065.db2.gz HDMTVDDAOBJUFG-XHSDSOJGSA-N 1 2 363.527 2.727 10 0 FFAELO Cc1ccc([C@H](CNC(=O)N2CCC(C)CC2)[NH+]2CCOCC2)s1 ZINC000175020655 510440423 /nfs/dbraw/zinc/44/04/23/510440423.db2.gz QPFSPECIOZCYSR-INIZCTEOSA-N 1 2 351.516 2.871 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)c2csc(-c3cccc(Cl)c3)n2)C1 ZINC000194628675 510454681 /nfs/dbraw/zinc/45/46/81/510454681.db2.gz YQYQHXMRPUGNLC-CYBMUJFWSA-N 1 2 351.859 2.524 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)c2csc(-c3cccc(Cl)c3)n2)C1 ZINC000194628675 510454688 /nfs/dbraw/zinc/45/46/88/510454688.db2.gz YQYQHXMRPUGNLC-CYBMUJFWSA-N 1 2 351.859 2.524 10 0 FFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)N(C)Cc2cccnc2)c2cccs2)CCO1 ZINC000175055276 510461463 /nfs/dbraw/zinc/46/14/63/510461463.db2.gz BHODZSJIAVVUDQ-RDJZCZTQSA-N 1 2 374.510 2.747 10 0 FFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)N(C)Cc2cccnc2)c2cccs2)CCO1 ZINC000175055276 510461471 /nfs/dbraw/zinc/46/14/71/510461471.db2.gz BHODZSJIAVVUDQ-RDJZCZTQSA-N 1 2 374.510 2.747 10 0 FFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000246391127 510461791 /nfs/dbraw/zinc/46/17/91/510461791.db2.gz VUDXOJBHBLDSEW-WCVJEAGWSA-N 1 2 369.531 2.708 10 0 FFAELO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246425809 510484567 /nfs/dbraw/zinc/48/45/67/510484567.db2.gz CICKVANTGJYRDS-FZMZJTMJSA-N 1 2 360.351 2.930 10 0 FFAELO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246425809 510484571 /nfs/dbraw/zinc/48/45/71/510484571.db2.gz CICKVANTGJYRDS-FZMZJTMJSA-N 1 2 360.351 2.930 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc3c(c1)OCCCO3)C2 ZINC000172003298 510493409 /nfs/dbraw/zinc/49/34/09/510493409.db2.gz MCLOKBGQRHSHIK-UHFFFAOYSA-N 1 2 355.438 2.903 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000184906814 510575741 /nfs/dbraw/zinc/57/57/41/510575741.db2.gz RZRSJQFWDFMBOS-LSDHHAIUSA-N 1 2 366.889 2.728 10 0 FFAELO COCC[N@H+]1CCN(C(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000184906814 510575749 /nfs/dbraw/zinc/57/57/49/510575749.db2.gz RZRSJQFWDFMBOS-LSDHHAIUSA-N 1 2 366.889 2.728 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NC3CCSCC3)CC2)cs1 ZINC000172182241 510587759 /nfs/dbraw/zinc/58/77/59/510587759.db2.gz NUMDJEGKXMGJOE-UHFFFAOYSA-N 1 2 354.545 2.564 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)NC3CCSCC3)CC2)cs1 ZINC000172182241 510587764 /nfs/dbraw/zinc/58/77/64/510587764.db2.gz NUMDJEGKXMGJOE-UHFFFAOYSA-N 1 2 354.545 2.564 10 0 FFAELO Brc1ccc2[nH]c(C[NH+]3CCC(n4cncn4)CC3)nc2c1 ZINC000184959583 510604715 /nfs/dbraw/zinc/60/47/15/510604715.db2.gz NXMNJJMZTWQVDD-UHFFFAOYSA-N 1 2 361.247 2.754 10 0 FFAELO Brc1ccc2nc(C[NH+]3CCC(n4cncn4)CC3)[nH]c2c1 ZINC000184959583 510604724 /nfs/dbraw/zinc/60/47/24/510604724.db2.gz NXMNJJMZTWQVDD-UHFFFAOYSA-N 1 2 361.247 2.754 10 0 FFAELO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccccn2)[NH+]2CCOCC2)s1 ZINC000178445219 510606996 /nfs/dbraw/zinc/60/69/96/510606996.db2.gz HLZVCRKMNVMLIH-WBVHZDCISA-N 1 2 374.510 2.885 10 0 FFAELO CCC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@@H](C)C1)C(=O)OCC ZINC000246697752 510622588 /nfs/dbraw/zinc/62/25/88/510622588.db2.gz JMAYXKIZLSFPOI-JYJNAYRXSA-N 1 2 354.516 2.831 10 0 FFAELO O=C(c1cccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1)N1CCCCC1 ZINC000246698370 510622966 /nfs/dbraw/zinc/62/29/66/510622966.db2.gz RTCNTDCRVGAAFX-RTBURBONSA-N 1 2 355.482 2.556 10 0 FFAELO O=C(c1cccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1)N1CCCCC1 ZINC000246698370 510622973 /nfs/dbraw/zinc/62/29/73/510622973.db2.gz RTCNTDCRVGAAFX-RTBURBONSA-N 1 2 355.482 2.556 10 0 FFAELO O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263285333 510644190 /nfs/dbraw/zinc/64/41/90/510644190.db2.gz UXCLOEWDNKTUSS-HNNXBMFYSA-N 1 2 351.328 2.626 10 0 FFAELO CC(C)c1nnc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)n1C ZINC000195051591 510647248 /nfs/dbraw/zinc/64/72/48/510647248.db2.gz BTHIRKWMOJIOIW-HNNXBMFYSA-N 1 2 357.506 2.636 10 0 FFAELO CC(C)c1nnc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)n1C ZINC000195051591 510647256 /nfs/dbraw/zinc/64/72/56/510647256.db2.gz BTHIRKWMOJIOIW-HNNXBMFYSA-N 1 2 357.506 2.636 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2oc3c(c2C)C(=O)CCC3)C[C@H]1CC ZINC000172299706 510653815 /nfs/dbraw/zinc/65/38/15/510653815.db2.gz JVSDLKIXSTUZKG-OAHLLOKOSA-N 1 2 362.470 2.680 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2oc3c(c2C)C(=O)CCC3)C[C@H]1CC ZINC000172299706 510653820 /nfs/dbraw/zinc/65/38/20/510653820.db2.gz JVSDLKIXSTUZKG-OAHLLOKOSA-N 1 2 362.470 2.680 10 0 FFAELO Cn1c(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)nnc1C1CC1 ZINC000195065926 510656367 /nfs/dbraw/zinc/65/63/67/510656367.db2.gz TXWLBUQKKRKFIF-QGZVFWFLSA-N 1 2 368.485 2.869 10 0 FFAELO Cn1c(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)nnc1C1CC1 ZINC000195065926 510656373 /nfs/dbraw/zinc/65/63/73/510656373.db2.gz TXWLBUQKKRKFIF-QGZVFWFLSA-N 1 2 368.485 2.869 10 0 FFAELO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246849158 510708241 /nfs/dbraw/zinc/70/82/41/510708241.db2.gz DVHASVXYMPXJGP-TZMCWYRMSA-N 1 2 372.296 2.727 10 0 FFAELO C[C@H]1CN(C(=O)c2cc3ccccc3c(Cl)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000178674140 510715254 /nfs/dbraw/zinc/71/52/54/510715254.db2.gz VLGVEGZFJHKSNM-GUYCJALGSA-N 1 2 359.857 2.681 10 0 FFAELO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000185156128 510716783 /nfs/dbraw/zinc/71/67/83/510716783.db2.gz BQDKOXLHTSBQPY-SJORKVTESA-N 1 2 371.868 2.666 10 0 FFAELO OC[C@H]1C[C@H](O)C[N@H+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000185156128 510716792 /nfs/dbraw/zinc/71/67/92/510716792.db2.gz BQDKOXLHTSBQPY-SJORKVTESA-N 1 2 371.868 2.666 10 0 FFAELO O=C(NC1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1)C1CCC1 ZINC000188533102 510812832 /nfs/dbraw/zinc/81/28/32/510812832.db2.gz CQEXPFHWGCRNES-UHFFFAOYSA-N 1 2 351.406 2.615 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)Cc2ccc(C)cc2)nc[nH+]1 ZINC000182225353 510822430 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O=C(NCCc1cccs1)C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110334244 508021294 /nfs/dbraw/zinc/02/12/94/508021294.db2.gz VOULLDJHBHCYEC-UHFFFAOYSA-N 1 2 356.495 2.991 10 0 FFAELO C[C@@H](CNC(=O)N(C)Cc1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000079981764 508022495 /nfs/dbraw/zinc/02/24/95/508022495.db2.gz NQXKDJSBLRUSDQ-ZDUSSCGKSA-N 1 2 359.392 2.568 10 0 FFAELO OC[C@@H]1CCCN1c1cc(NCCCCOCc2ccccc2)[nH+]cn1 ZINC000110392456 508026121 /nfs/dbraw/zinc/02/61/21/508026121.db2.gz LJMHGEDHAPUDID-SFHVURJKSA-N 1 2 356.470 2.847 10 0 FFAELO OC[C@@H]1CCCN1c1cc(NCCCCOCc2ccccc2)nc[nH+]1 ZINC000110392456 508026123 /nfs/dbraw/zinc/02/61/23/508026123.db2.gz LJMHGEDHAPUDID-SFHVURJKSA-N 1 2 356.470 2.847 10 0 FFAELO COc1cccc([C@H]2C[C@H]2C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000110939415 508057837 /nfs/dbraw/zinc/05/78/37/508057837.db2.gz LBPUAGBGCXZCHF-RTBURBONSA-N 1 2 371.506 2.908 10 0 FFAELO C[C@@H](NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876553 508066568 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COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)cs2)ccc1O ZINC000112343239 508176874 /nfs/dbraw/zinc/17/68/74/508176874.db2.gz OAACTGQWMPEXOG-OAHLLOKOSA-N 1 2 371.466 2.953 10 0 FFAELO COc1cc(-c2nc(C[N@H+]3CCC[C@@H](n4cncn4)C3)cs2)ccc1O ZINC000112343239 508176875 /nfs/dbraw/zinc/17/68/75/508176875.db2.gz OAACTGQWMPEXOG-OAHLLOKOSA-N 1 2 371.466 2.953 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)NC(=O)Nc1ccccc1)C2 ZINC000112670234 508207728 /nfs/dbraw/zinc/20/77/28/508207728.db2.gz NRLFGXWZXYYEPK-AWEZNQCLSA-N 1 2 369.469 2.638 10 0 FFAELO COCCOC1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000076471003 508210593 /nfs/dbraw/zinc/21/05/93/508210593.db2.gz GLLDMDVQRQZYSF-INIZCTEOSA-N 1 2 372.469 2.770 10 0 FFAELO COc1ccc(CCNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000112739559 508218233 /nfs/dbraw/zinc/21/82/33/508218233.db2.gz RSDADICWLOOERP-UHFFFAOYSA-N 1 2 356.470 2.863 10 0 FFAELO Cc1nc(C)c(CCNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)s1 ZINC000112749830 508220325 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NC(=O)[C@@H]1CCCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000102667684 508281084 /nfs/dbraw/zinc/28/10/84/508281084.db2.gz HLSAKVGMYRBTNH-FQEVSTJZSA-N 1 2 365.477 2.555 10 0 FFAELO CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CCc3ccccc3O)CC2)cn1 ZINC000113859870 508283501 /nfs/dbraw/zinc/28/35/01/508283501.db2.gz DIOBXJWJGSCXKM-UHFFFAOYSA-N 1 2 370.497 2.621 10 0 FFAELO CC(C)(C)n1cc(C[NH+]2CCN(C(=O)c3ccc[nH]c3=S)CC2)cn1 ZINC000113921975 508285858 /nfs/dbraw/zinc/28/58/58/508285858.db2.gz VHRMKLYIMCFDMD-UHFFFAOYSA-N 1 2 359.499 2.654 10 0 FFAELO CC(C)COC1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000102996656 508291947 /nfs/dbraw/zinc/29/19/47/508291947.db2.gz CDCDTLMLXMUZLI-OAQYLSRUSA-N 1 2 373.541 2.639 10 0 FFAELO COC[C@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000103406452 508310274 /nfs/dbraw/zinc/31/02/74/508310274.db2.gz NNQWRGYAFLRSGP-YOEHRIQHSA-N 1 2 368.905 2.891 10 0 FFAELO COC[C@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000103406452 508310277 /nfs/dbraw/zinc/31/02/77/508310277.db2.gz NNQWRGYAFLRSGP-YOEHRIQHSA-N 1 2 368.905 2.891 10 0 FFAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)NCCOc1cccc(Cl)c1 ZINC000114483380 508320997 /nfs/dbraw/zinc/32/09/97/508320997.db2.gz MNHIJSXQLMXKJZ-QGZVFWFLSA-N 1 2 362.861 2.785 10 0 FFAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)NCCOc1cccc(Cl)c1 ZINC000114483380 508321000 /nfs/dbraw/zinc/32/10/00/508321000.db2.gz MNHIJSXQLMXKJZ-QGZVFWFLSA-N 1 2 362.861 2.785 10 0 FFAELO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104791662 508347031 /nfs/dbraw/zinc/34/70/31/508347031.db2.gz MPHMCSGAMXWVLD-ZBFHGGJFSA-N 1 2 374.510 2.809 10 0 FFAELO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104791662 508347032 /nfs/dbraw/zinc/34/70/32/508347032.db2.gz MPHMCSGAMXWVLD-ZBFHGGJFSA-N 1 2 374.510 2.809 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000115389849 508390585 /nfs/dbraw/zinc/39/05/85/508390585.db2.gz HIZUIVFAGVMHPQ-AWEZNQCLSA-N 1 2 358.461 2.624 10 0 FFAELO Cc1ncc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)s1 ZINC000106090502 508392460 /nfs/dbraw/zinc/39/24/60/508392460.db2.gz FTJMMIXRHXRUOL-UHFFFAOYSA-N 1 2 353.495 2.955 10 0 FFAELO CCOc1ccnc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)n1 ZINC000106153234 508396368 /nfs/dbraw/zinc/39/63/68/508396368.db2.gz KWBKXYXOTACICC-UHFFFAOYSA-N 1 2 365.437 2.853 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCc2ccc(C)cc2C)CC1 ZINC000115660961 508422880 /nfs/dbraw/zinc/42/28/80/508422880.db2.gz WHZIEERUVAGRTC-UHFFFAOYSA-N 1 2 369.513 2.681 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccc(C)cc2F)CC1 ZINC000115748271 508433764 /nfs/dbraw/zinc/43/37/64/508433764.db2.gz BDFIKTHCPKOVSO-UHFFFAOYSA-N 1 2 359.449 2.834 10 0 FFAELO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152492060 508457600 /nfs/dbraw/zinc/45/76/00/508457600.db2.gz VVKUXNGRCGTVME-MOPGFXCFSA-N 1 2 355.413 2.694 10 0 FFAELO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152492060 508457603 /nfs/dbraw/zinc/45/76/03/508457603.db2.gz VVKUXNGRCGTVME-MOPGFXCFSA-N 1 2 355.413 2.694 10 0 FFAELO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cn2)[NH+]2CCOCC2)s1 ZINC000122642952 508566106 /nfs/dbraw/zinc/56/61/06/508566106.db2.gz VYRUWGZEYCGDNV-AWEZNQCLSA-N 1 2 364.446 2.786 10 0 FFAELO CCOc1cccc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000122672897 508570762 /nfs/dbraw/zinc/57/07/62/508570762.db2.gz FDWYWMURXPBABC-HXUWFJFHSA-N 1 2 370.493 2.643 10 0 FFAELO Cc1ccc(Br)c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000157999881 508643701 /nfs/dbraw/zinc/64/37/01/508643701.db2.gz NVTHFFZPKLYULL-BBRMVZONSA-N 1 2 367.287 2.550 10 0 FFAELO COc1cc(/C=C/C(=O)NCc2cccnc2-n2cc[nH+]c2)ccc1F ZINC000128998808 508668935 /nfs/dbraw/zinc/66/89/35/508668935.db2.gz VFMWNQKYOXJOHN-FNORWQNLSA-N 1 2 352.369 2.745 10 0 FFAELO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000118982411 508700191 /nfs/dbraw/zinc/70/01/91/508700191.db2.gz OWVFFGMFAZUFDQ-NEPJUHHUSA-N 1 2 360.285 2.554 10 0 FFAELO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000118982411 508700193 /nfs/dbraw/zinc/70/01/93/508700193.db2.gz OWVFFGMFAZUFDQ-NEPJUHHUSA-N 1 2 360.285 2.554 10 0 FFAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1nnc(C(C)C)s1 ZINC000137199594 508743417 /nfs/dbraw/zinc/74/34/17/508743417.db2.gz AZXMOIGGTKXIGV-CYBMUJFWSA-N 1 2 362.503 2.787 10 0 FFAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1nnc(C(C)C)s1 ZINC000137199594 508743420 /nfs/dbraw/zinc/74/34/20/508743420.db2.gz AZXMOIGGTKXIGV-CYBMUJFWSA-N 1 2 362.503 2.787 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000138978099 508782389 /nfs/dbraw/zinc/78/23/89/508782389.db2.gz NSXRSFKRUCXOFS-INIZCTEOSA-N 1 2 351.878 2.739 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)NC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000138978099 508782392 /nfs/dbraw/zinc/78/23/92/508782392.db2.gz NSXRSFKRUCXOFS-INIZCTEOSA-N 1 2 351.878 2.739 10 0 FFAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3)C2)C1 ZINC000139111728 508784052 /nfs/dbraw/zinc/78/40/52/508784052.db2.gz IEZPMPPVRPDTEU-ROUUACIJSA-N 1 2 367.497 2.663 10 0 FFAELO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1nnc2n1CCCC2 ZINC000130970288 508871705 /nfs/dbraw/zinc/87/17/05/508871705.db2.gz QJCXSFZNTIOSNS-NWDGAFQWSA-N 1 2 366.462 2.569 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)Nc2cc[nH+]c(C)c2)N2CCOCC2)s1 ZINC000119924184 508891470 /nfs/dbraw/zinc/89/14/70/508891470.db2.gz KHFUUUWBFWDENR-MRXNPFEDSA-N 1 2 360.483 2.955 10 0 FFAELO Cc1cccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1Br ZINC000125074763 508927669 /nfs/dbraw/zinc/92/76/69/508927669.db2.gz QWMWGHOKPDQXGZ-ZFWWWQNUSA-N 1 2 367.287 2.550 10 0 FFAELO CC(C)c1ncc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)s1 ZINC000151105058 508957699 /nfs/dbraw/zinc/95/76/99/508957699.db2.gz DKPACORNKPLUFO-INIZCTEOSA-N 1 2 359.495 2.758 10 0 FFAELO CCOc1cc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)ccc1OC ZINC000121283937 509162833 /nfs/dbraw/zinc/16/28/33/509162833.db2.gz NNWBNFAQJDPPMW-AWEZNQCLSA-N 1 2 360.458 2.664 10 0 FFAELO 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FFAELO C[C@@H](COCc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000172781664 509233055 /nfs/dbraw/zinc/23/30/55/509233055.db2.gz PNTHCWXTQBGYRB-WMZOPIPTSA-N 1 2 356.470 2.703 10 0 FFAELO CN(C)c1noc(C2CC[NH+](Cc3c(Cl)nc4ccccn43)CC2)n1 ZINC000191908929 509241283 /nfs/dbraw/zinc/24/12/83/509241283.db2.gz DNJIYFVGOTXSIZ-UHFFFAOYSA-N 1 2 360.849 2.816 10 0 FFAELO CC1CCN(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000248338305 509273145 /nfs/dbraw/zinc/27/31/45/509273145.db2.gz HSJWFYOTQSMMAJ-HOTGVXAUSA-N 1 2 351.516 2.951 10 0 FFAELO CC1CCN(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000248338305 509273149 /nfs/dbraw/zinc/27/31/49/509273149.db2.gz HSJWFYOTQSMMAJ-HOTGVXAUSA-N 1 2 351.516 2.951 10 0 FFAELO CC1CCN(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000248338306 509273239 /nfs/dbraw/zinc/27/32/39/509273239.db2.gz HSJWFYOTQSMMAJ-JKSUJKDBSA-N 1 2 351.516 2.951 10 0 FFAELO CC1CCN(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000248338306 509273241 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Cc1ncc(C[NH+]2CCN(C(=O)Cc3cc(F)ccc3F)CC2)s1 ZINC000173305442 509519022 /nfs/dbraw/zinc/51/90/22/509519022.db2.gz SXFCTUKLPVPRGC-UHFFFAOYSA-N 1 2 351.422 2.617 10 0 FFAELO Cn1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2nc(-c3ccco3)cs2)cn1 ZINC000173316661 509528393 /nfs/dbraw/zinc/52/83/93/509528393.db2.gz YAYYRWLPFWQHBA-CQSZACIVSA-N 1 2 357.439 2.912 10 0 FFAELO Cn1cc([C@H]2CCC[N@H+]2CC(=O)Nc2nc(-c3ccco3)cs2)cn1 ZINC000173316661 509528401 /nfs/dbraw/zinc/52/84/01/509528401.db2.gz YAYYRWLPFWQHBA-CQSZACIVSA-N 1 2 357.439 2.912 10 0 FFAELO NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000248885112 509529141 /nfs/dbraw/zinc/52/91/41/509529141.db2.gz PXTWUAGOAOQXEL-ZBFHGGJFSA-N 1 2 373.888 2.612 10 0 FFAELO NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000248885112 509529147 /nfs/dbraw/zinc/52/91/47/509529147.db2.gz PXTWUAGOAOQXEL-ZBFHGGJFSA-N 1 2 373.888 2.612 10 0 FFAELO C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000176506698 509549674 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CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000249039977 509579910 /nfs/dbraw/zinc/57/99/10/509579910.db2.gz YTZBJEDUEANEAY-QRVBRYPASA-N 1 2 373.453 2.898 10 0 FFAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000249039977 509579915 /nfs/dbraw/zinc/57/99/15/509579915.db2.gz YTZBJEDUEANEAY-QRVBRYPASA-N 1 2 373.453 2.898 10 0 FFAELO Cc1ccc([C@H](CNC(=O)c2[nH]nc3ccccc32)[NH+]2CCOCC2)s1 ZINC000176558026 509583613 /nfs/dbraw/zinc/58/36/13/509583613.db2.gz OWROFHCMPVQMKQ-INIZCTEOSA-N 1 2 370.478 2.736 10 0 FFAELO Cc1ccc([C@H](CNC(=O)c2cccc3c[nH]nc32)[NH+]2CCOCC2)s1 ZINC000176562754 509585285 /nfs/dbraw/zinc/58/52/85/509585285.db2.gz QZXYJSFRCMAJFP-INIZCTEOSA-N 1 2 370.478 2.736 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCc3c2cccc3C)nc[nH+]1 ZINC000173425242 509590107 /nfs/dbraw/zinc/59/01/07/509590107.db2.gz QVBNHCACOPBIJM-HNNXBMFYSA-N 1 2 366.469 2.568 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCc3c2cccc3C)[nH+]cn1 ZINC000173425242 509590108 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/nfs/dbraw/zinc/26/50/87/510265087.db2.gz CJEUVQFTMJAKLG-CVEARBPZSA-N 1 2 353.474 2.584 10 0 FFAELO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194252815 510278697 /nfs/dbraw/zinc/27/86/97/510278697.db2.gz UZDIHYJYPIMLQP-HNNXBMFYSA-N 1 2 362.861 2.788 10 0 FFAELO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194252815 510278705 /nfs/dbraw/zinc/27/87/05/510278705.db2.gz UZDIHYJYPIMLQP-HNNXBMFYSA-N 1 2 362.861 2.788 10 0 FFAELO Cc1csc([C@H]2CN(C(=O)NCc3[nH+]ccn3CC(C)C)CCO2)n1 ZINC000194263276 510284140 /nfs/dbraw/zinc/28/41/40/510284140.db2.gz XBRFOHCUKKTXHC-CQSZACIVSA-N 1 2 363.487 2.587 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000174740428 510284377 /nfs/dbraw/zinc/28/43/77/510284377.db2.gz ZHIBTPKILPVZQD-UHFFFAOYSA-N 1 2 368.510 2.878 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000174747947 510288590 /nfs/dbraw/zinc/28/85/90/510288590.db2.gz SNLAOMORJOBSGE-OAHLLOKOSA-N 1 2 367.440 2.750 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000174747947 510288593 /nfs/dbraw/zinc/28/85/93/510288593.db2.gz SNLAOMORJOBSGE-OAHLLOKOSA-N 1 2 367.440 2.750 10 0 FFAELO CC(C)c1nnc2n1C[C@@H](Nc1cc(N3CCC[C@@H](C)C3)nc[nH+]1)CC2 ZINC000246166281 510333112 /nfs/dbraw/zinc/33/31/12/510333112.db2.gz NBRRVVISUONNIK-CABCVRRESA-N 1 2 355.490 2.855 10 0 FFAELO CC(C)c1nnc2n1C[C@@H](Nc1cc(N3CCC[C@@H](C)C3)[nH+]cn1)CC2 ZINC000246166281 510333121 /nfs/dbraw/zinc/33/31/21/510333121.db2.gz NBRRVVISUONNIK-CABCVRRESA-N 1 2 355.490 2.855 10 0 FFAELO CN(CC1CC(O)C1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000190773324 510335563 /nfs/dbraw/zinc/33/55/63/510335563.db2.gz WMPKXLXWSGABFA-BTJFUYOGSA-N 1 2 369.868 2.637 10 0 FFAELO CN(CC1CC(O)C1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000190773324 510335568 /nfs/dbraw/zinc/33/55/68/510335568.db2.gz WMPKXLXWSGABFA-BTJFUYOGSA-N 1 2 369.868 2.637 10 0 FFAELO COC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1)c1ccco1 ZINC000184516779 510368009 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355.438 2.954 10 0 FFAELO CCOCCN1CC[N@@H+]([C@H](C)C(=O)N(CC)C2CCCCC2)C[C@@H]1C ZINC000246267080 510397300 /nfs/dbraw/zinc/39/73/00/510397300.db2.gz GXSSZZUEULAKHY-ZWKOTPCHSA-N 1 2 353.551 2.599 10 0 FFAELO CCOCCN1CC[N@H+]([C@H](C)C(=O)N(CC)C2CCCCC2)C[C@@H]1C ZINC000246267080 510397303 /nfs/dbraw/zinc/39/73/03/510397303.db2.gz GXSSZZUEULAKHY-ZWKOTPCHSA-N 1 2 353.551 2.599 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)Nc2nccs2)[NH+]2CCOCC2)s1 ZINC000174977643 510416384 /nfs/dbraw/zinc/41/63/84/510416384.db2.gz JOBAKLPDHCXIGG-GFCCVEGCSA-N 1 2 352.485 2.708 10 0 FFAELO O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246341783 510434943 /nfs/dbraw/zinc/43/49/43/510434943.db2.gz FIGPOTYWMIDEIO-SJLPKXTDSA-N 1 2 351.830 2.884 10 0 FFAELO O[C@@H](COCc1ccc(Cl)cc1)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246341783 510434946 /nfs/dbraw/zinc/43/49/46/510434946.db2.gz FIGPOTYWMIDEIO-SJLPKXTDSA-N 1 2 351.830 2.884 10 0 FFAELO CCC[C@@](C)([NH2+]C[C@H](O)COc1cccc(Br)c1)C(=O)OC ZINC000171944169 510464019 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MCSOEINMYFRCDE-QGZVFWFLSA-N 1 2 363.527 2.534 10 0 FFAELO C[C@H]1CCCN(c2cc(NCCC(=O)NCc3ccccc3)[nH+]cn2)C1 ZINC000110396587 508025905 /nfs/dbraw/zinc/02/59/05/508025905.db2.gz YFNQBTGJOWFGQD-INIZCTEOSA-N 1 2 353.470 2.831 10 0 FFAELO C[C@H]1CCCN(c2cc(NCCC(=O)NCc3ccccc3)nc[nH+]2)C1 ZINC000110396587 508025907 /nfs/dbraw/zinc/02/59/07/508025907.db2.gz YFNQBTGJOWFGQD-INIZCTEOSA-N 1 2 353.470 2.831 10 0 FFAELO CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[C@H]1c1ccccc1 ZINC000074850655 508061842 /nfs/dbraw/zinc/06/18/42/508061842.db2.gz XJTHFUZYEPDPRV-QWFCFKBJSA-N 1 2 359.514 2.932 10 0 FFAELO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)OC1CCOCC1)CC2 ZINC000377651011 512377389 /nfs/dbraw/zinc/37/73/89/512377389.db2.gz MJFTWVDCVLLMGC-OAHLLOKOSA-N 1 2 365.499 2.745 10 0 FFAELO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)OC1CCOCC1)CC2 ZINC000377651011 512377396 /nfs/dbraw/zinc/37/73/96/512377396.db2.gz MJFTWVDCVLLMGC-OAHLLOKOSA-N 1 2 365.499 2.745 10 0 FFAELO CCOc1ncccc1NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111417222 508096557 /nfs/dbraw/zinc/09/65/57/508096557.db2.gz QDNPWURKAJSDNQ-UHFFFAOYSA-N 1 2 361.471 2.595 10 0 FFAELO C[C@@H]1C[NH+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C[C@@H](C)O1 ZINC000075589634 508120585 /nfs/dbraw/zinc/12/05/85/508120585.db2.gz ZLAAXPWEOXOQDK-XJKCOSOUSA-N 1 2 354.397 2.893 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCCc3ccccc3)CC2)s1 ZINC000111792654 508123040 /nfs/dbraw/zinc/12/30/40/508123040.db2.gz RCJKRYQGAYULSV-UHFFFAOYSA-N 1 2 358.511 2.912 10 0 FFAELO Cc1ccc([C@H](C)NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)o1 ZINC000111804152 508123329 /nfs/dbraw/zinc/12/33/29/508123329.db2.gz CMCWLLVONKOTJH-PKOBYXMFSA-N 1 2 371.481 2.892 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H]1CCN(c3ccccc3F)C1=O)C2 ZINC000112347567 508176619 /nfs/dbraw/zinc/17/66/19/508176619.db2.gz PBLORYYAUAPGLB-GOSISDBHSA-N 1 2 356.445 2.846 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@H]1c3ccccc3NC1=O)C2 ZINC000112665927 508207093 /nfs/dbraw/zinc/20/70/93/508207093.db2.gz QBCXYJCIJCQRDU-AWEZNQCLSA-N 1 2 352.438 2.554 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@@H]1c3ccccc3NC1=O)C2 ZINC000112665925 508207234 /nfs/dbraw/zinc/20/72/34/508207234.db2.gz QBCXYJCIJCQRDU-CQSZACIVSA-N 1 2 352.438 2.554 10 0 FFAELO COCCCOc1ccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cn1 ZINC000112670609 508207820 /nfs/dbraw/zinc/20/78/20/508207820.db2.gz MOYPVCQYZUSUNO-UHFFFAOYSA-N 1 2 372.469 2.552 10 0 FFAELO COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)N(C)CC(F)(F)F)C2)c1 ZINC000083250002 508243279 /nfs/dbraw/zinc/24/32/79/508243279.db2.gz ZINLOADDKQJXFY-LBPRGKRZSA-N 1 2 360.376 2.514 10 0 FFAELO COc1cc(OC)cc([C@H]2CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C2)c1 ZINC000083250002 508243280 /nfs/dbraw/zinc/24/32/80/508243280.db2.gz ZINLOADDKQJXFY-LBPRGKRZSA-N 1 2 360.376 2.514 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000101564430 508247408 /nfs/dbraw/zinc/24/74/08/508247408.db2.gz QCUVXFYVNHWKNO-DOTOQJQBSA-N 1 2 361.486 2.793 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000101564430 508247409 /nfs/dbraw/zinc/24/74/09/508247409.db2.gz QCUVXFYVNHWKNO-DOTOQJQBSA-N 1 2 361.486 2.793 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000113299381 508259710 /nfs/dbraw/zinc/25/97/10/508259710.db2.gz GAOBIWBPHVCCSW-UHFFFAOYSA-N 1 2 353.875 2.944 10 0 FFAELO COc1ccccc1C[NH+]1CCN(CC(=O)Nc2cccc(C)c2)CC1 ZINC000102775253 508284299 /nfs/dbraw/zinc/28/42/99/508284299.db2.gz NVPFQFSBWDTRFW-UHFFFAOYSA-N 1 2 353.466 2.760 10 0 FFAELO CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000103472629 508313685 /nfs/dbraw/zinc/31/36/85/508313685.db2.gz KWFBAYYDUQFFML-OAHLLOKOSA-N 1 2 373.497 2.700 10 0 FFAELO CCNC(=O)CCCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000104142094 508328994 /nfs/dbraw/zinc/32/89/94/508328994.db2.gz HVZXKCTXKNMFAT-HNNXBMFYSA-N 1 2 365.905 2.852 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)C1 ZINC000104795742 508347400 /nfs/dbraw/zinc/34/74/00/508347400.db2.gz VAWLVCRRGGGIJD-HNNXBMFYSA-N 1 2 373.419 2.613 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)C1 ZINC000104795742 508347402 /nfs/dbraw/zinc/34/74/02/508347402.db2.gz VAWLVCRRGGGIJD-HNNXBMFYSA-N 1 2 373.419 2.613 10 0 FFAELO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1F ZINC000088353455 508366247 /nfs/dbraw/zinc/36/62/47/508366247.db2.gz SMEXJNBRAUPNEQ-INIZCTEOSA-N 1 2 356.445 2.529 10 0 FFAELO COc1ccc(F)cc1C[NH+]1CCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000105607577 508377922 /nfs/dbraw/zinc/37/79/22/508377922.db2.gz BVAWVPFRNYKKCC-UHFFFAOYSA-N 1 2 372.400 2.795 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000115390097 508390276 /nfs/dbraw/zinc/39/02/76/508390276.db2.gz WCHMPASJAVYTKK-UHFFFAOYSA-N 1 2 366.509 2.874 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCc2ccc(C)cc2C)CC1 ZINC000115389588 508390762 /nfs/dbraw/zinc/39/07/62/508390762.db2.gz PLTLEMUKCRGIDL-UHFFFAOYSA-N 1 2 368.525 2.931 10 0 FFAELO COCc1cccc(NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1 ZINC000115755101 508433794 /nfs/dbraw/zinc/43/37/94/508433794.db2.gz OWCCUAGYNBYISK-UHFFFAOYSA-N 1 2 371.485 2.533 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000115808835 508440013 /nfs/dbraw/zinc/44/00/13/508440013.db2.gz QCBRQZHYGRQIAK-CRAIPNDOSA-N 1 2 361.534 2.690 10 0 FFAELO O=C(C[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccc(CN2CCOCC2)cc1 ZINC000116294328 508495798 /nfs/dbraw/zinc/49/57/98/508495798.db2.gz XZIBGZQCIVTFSE-IBGZPJMESA-N 1 2 369.465 2.887 10 0 FFAELO O=C(C[N@H+]1CCC[C@H]1c1ccco1)Nc1ccc(CN2CCOCC2)cc1 ZINC000116294328 508495799 /nfs/dbraw/zinc/49/57/99/508495799.db2.gz XZIBGZQCIVTFSE-IBGZPJMESA-N 1 2 369.465 2.887 10 0 FFAELO Cc1cc(N2CC[C@H](Nc3cc(C)[nH+]c4c(F)cccc34)C2=O)n(C)n1 ZINC000127947521 508526069 /nfs/dbraw/zinc/52/60/69/508526069.db2.gz PHXRRSOLUFPRAC-HNNXBMFYSA-N 1 2 353.401 2.942 10 0 FFAELO CCc1nc(-c2ccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cc2)n[nH]1 ZINC000122457298 508538887 /nfs/dbraw/zinc/53/88/87/508538887.db2.gz KOTDYIAXWRVINC-UHFFFAOYSA-N 1 2 368.466 2.731 10 0 FFAELO CCc1nc(-c2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cc2)n[nH]1 ZINC000122457298 508538891 /nfs/dbraw/zinc/53/88/91/508538891.db2.gz KOTDYIAXWRVINC-UHFFFAOYSA-N 1 2 368.466 2.731 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C[C@@H]1C ZINC000117279725 508586940 /nfs/dbraw/zinc/58/69/40/508586940.db2.gz RTYSVOBJIVAPHF-INIZCTEOSA-N 1 2 373.522 2.917 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C[C@@H]1C ZINC000117279725 508586944 /nfs/dbraw/zinc/58/69/44/508586944.db2.gz RTYSVOBJIVAPHF-INIZCTEOSA-N 1 2 373.522 2.917 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2sc(-c3ccccc3)nc2C)C[C@@H]1C ZINC000117293726 508589102 /nfs/dbraw/zinc/58/91/02/508589102.db2.gz CNQTVMDCKJAHIK-AWEZNQCLSA-N 1 2 359.495 2.911 10 0 FFAELO COCC[N@H+]1CCN(C(=O)c2sc(-c3ccccc3)nc2C)C[C@@H]1C ZINC000117293726 508589103 /nfs/dbraw/zinc/58/91/03/508589103.db2.gz CNQTVMDCKJAHIK-AWEZNQCLSA-N 1 2 359.495 2.911 10 0 FFAELO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000153653261 508617297 /nfs/dbraw/zinc/61/72/97/508617297.db2.gz QKXUOPXWUPXINM-KBPBESRZSA-N 1 2 357.462 2.896 10 0 FFAELO O=C(C[C@H]1COC(=O)C1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000158234712 508675844 /nfs/dbraw/zinc/67/58/44/508675844.db2.gz YSCPTLXPTNMXRH-CQSZACIVSA-N 1 2 371.462 2.593 10 0 FFAELO O=C(C[C@H]1COC(=O)C1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000158234712 508675846 /nfs/dbraw/zinc/67/58/46/508675846.db2.gz YSCPTLXPTNMXRH-CQSZACIVSA-N 1 2 371.462 2.593 10 0 FFAELO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123520326 508700123 /nfs/dbraw/zinc/70/01/23/508700123.db2.gz FXBOMGOXVGUKDA-GOSISDBHSA-N 1 2 373.497 2.797 10 0 FFAELO C[C@H](NC(=O)CCC(=O)NC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000154146166 508725524 /nfs/dbraw/zinc/72/55/24/508725524.db2.gz OALCACTXTLNFNJ-HNNXBMFYSA-N 1 2 354.454 2.889 10 0 FFAELO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119225026 508752011 /nfs/dbraw/zinc/75/20/11/508752011.db2.gz GNMLUKSYZZUJOB-SMDDNHRTSA-N 1 2 358.833 2.571 10 0 FFAELO COc1sc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1Br ZINC000119491516 508806816 /nfs/dbraw/zinc/80/68/16/508806816.db2.gz WTUCDYCWUGPZQS-SNVBAGLBSA-N 1 2 357.277 2.948 10 0 FFAELO COc1sc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1Br ZINC000119491516 508806818 /nfs/dbraw/zinc/80/68/18/508806818.db2.gz WTUCDYCWUGPZQS-SNVBAGLBSA-N 1 2 357.277 2.948 10 0 FFAELO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cnn1-c1ccccn1 ZINC000130858240 508857521 /nfs/dbraw/zinc/85/75/21/508857521.db2.gz WDFTYIZNOMLVGH-KGLIPLIRSA-N 1 2 351.458 2.915 10 0 FFAELO Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1[nH+]ccn1CC(C)C)C(C)C ZINC000131345371 508919835 /nfs/dbraw/zinc/91/98/35/508919835.db2.gz OIZPFSKOOJXGNT-LJQANCHMSA-N 1 2 370.497 2.918 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)C1 ZINC000125042755 508922738 /nfs/dbraw/zinc/92/27/38/508922738.db2.gz ANHIEBRPDXJLLU-BBRMVZONSA-N 1 2 355.429 2.682 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)C1 ZINC000125042755 508922744 /nfs/dbraw/zinc/92/27/44/508922744.db2.gz ANHIEBRPDXJLLU-BBRMVZONSA-N 1 2 355.429 2.682 10 0 FFAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000125341895 508968333 /nfs/dbraw/zinc/96/83/33/508968333.db2.gz ZJZUQPDQPSUNSZ-CRAIPNDOSA-N 1 2 366.469 2.855 10 0 FFAELO Cc1cccc(-c2ccc(CNC(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)c1 ZINC000151347207 509002813 /nfs/dbraw/zinc/00/28/13/509002813.db2.gz YIERSAKMHZUKCK-FQEVSTJZSA-N 1 2 353.466 2.792 10 0 FFAELO Cc1cccc(-c2ccc(CNC(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)c1 ZINC000151347207 509002818 /nfs/dbraw/zinc/00/28/18/509002818.db2.gz YIERSAKMHZUKCK-FQEVSTJZSA-N 1 2 353.466 2.792 10 0 FFAELO OCCn1nccc1C1CC[NH+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC000151791389 509083798 /nfs/dbraw/zinc/08/37/98/509083798.db2.gz XHZOGZBGCDPCLT-UHFFFAOYSA-N 1 2 360.405 2.730 10 0 FFAELO Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000120956853 509096966 /nfs/dbraw/zinc/09/69/66/509096966.db2.gz DAINQHNLWZAMSV-ZFWWWQNUSA-N 1 2 352.442 2.895 10 0 FFAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000120961058 509097273 /nfs/dbraw/zinc/09/72/73/509097273.db2.gz YDBCDBKVQWQDOQ-CALCHBBNSA-N 1 2 372.465 2.722 10 0 FFAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000120961058 509097279 /nfs/dbraw/zinc/09/72/79/509097279.db2.gz YDBCDBKVQWQDOQ-CALCHBBNSA-N 1 2 372.465 2.722 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC2(c3ccc(F)cc3F)CCCCC2)C1 ZINC000133185828 509129206 /nfs/dbraw/zinc/12/92/06/509129206.db2.gz XIQURWGBQJDAGE-HNNXBMFYSA-N 1 2 367.440 2.754 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)NC2(c3ccc(F)cc3F)CCCCC2)C1 ZINC000133185828 509129210 /nfs/dbraw/zinc/12/92/10/509129210.db2.gz XIQURWGBQJDAGE-HNNXBMFYSA-N 1 2 367.440 2.754 10 0 FFAELO CCOCCO[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000121262143 509159114 /nfs/dbraw/zinc/15/91/14/509159114.db2.gz TYYLNJYGBRVMDD-LPHOPBHVSA-N 1 2 372.469 2.770 10 0 FFAELO Cc1[nH]cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(=O)c1Br ZINC000121373646 509170485 /nfs/dbraw/zinc/17/04/85/509170485.db2.gz PSLPBHNINYPGLY-LLVKDONJSA-N 1 2 365.231 2.949 10 0 FFAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000162067862 509171428 /nfs/dbraw/zinc/17/14/28/509171428.db2.gz YQRSOUZUOHUJTC-SCLBCKFNSA-N 1 2 362.861 2.824 10 0 FFAELO Cn1nccc1C1CC[NH+](Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000195502244 509195091 /nfs/dbraw/zinc/19/50/91/509195091.db2.gz ZZKQJKWGGUTYIJ-UHFFFAOYSA-N 1 2 369.437 2.796 10 0 FFAELO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505699 509199889 /nfs/dbraw/zinc/19/98/89/509199889.db2.gz BHCNHFTTYSAIJF-UHFFFAOYSA-N 1 2 352.891 2.963 10 0 FFAELO Cc1cc(O[C@@H](C)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1C(C)C ZINC000172743641 509207552 /nfs/dbraw/zinc/20/75/52/509207552.db2.gz KCQAVXVKEQQXPN-ROUUACIJSA-N 1 2 360.498 2.819 10 0 FFAELO O=C(c1ccccc1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172747962 509208625 /nfs/dbraw/zinc/20/86/25/509208625.db2.gz SPWRRSJNABBBBX-HXUWFJFHSA-N 1 2 350.462 2.824 10 0 FFAELO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750320 509210803 /nfs/dbraw/zinc/21/08/03/509210803.db2.gz MWUCPZDLRUATAN-MJGOQNOKSA-N 1 2 360.498 2.819 10 0 FFAELO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000172749668 509211585 /nfs/dbraw/zinc/21/15/85/509211585.db2.gz FNAGVFSOTIWCFJ-MRXNPFEDSA-N 1 2 370.415 2.916 10 0 FFAELO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172766406 509222965 /nfs/dbraw/zinc/22/29/65/509222965.db2.gz REGGTBNKCNPWJS-MRXNPFEDSA-N 1 2 357.479 2.665 10 0 FFAELO COC(=O)[C@H](NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000220627220 509302591 /nfs/dbraw/zinc/30/25/91/509302591.db2.gz SFVKTCCPWUTCNT-MLGOLLRUSA-N 1 2 361.829 2.507 10 0 FFAELO COC(=O)[C@H](NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000220627220 509302594 /nfs/dbraw/zinc/30/25/94/509302594.db2.gz SFVKTCCPWUTCNT-MLGOLLRUSA-N 1 2 361.829 2.507 10 0 FFAELO C[C@@H]1C[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccccc32)C(=O)N1c1ccccc1 ZINC000248544576 509356311 /nfs/dbraw/zinc/35/63/11/509356311.db2.gz DPVRFMZCQVHLLU-FHLIZLRMSA-N 1 2 370.474 2.689 10 0 FFAELO O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182708305 509385607 /nfs/dbraw/zinc/38/56/07/509385607.db2.gz BQUIOANWYIGKIW-DZGCQCFKSA-N 1 2 354.376 2.954 10 0 FFAELO O[C@@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182708305 509385613 /nfs/dbraw/zinc/38/56/13/509385613.db2.gz BQUIOANWYIGKIW-DZGCQCFKSA-N 1 2 354.376 2.954 10 0 FFAELO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)c3nnnn3C3CCCCC3)C2)no1 ZINC000189100173 509412013 /nfs/dbraw/zinc/41/20/13/509412013.db2.gz NSGAAVQIABOPPZ-DZGCQCFKSA-N 1 2 359.478 2.885 10 0 FFAELO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)c3nnnn3C3CCCCC3)C2)no1 ZINC000189100173 509412017 /nfs/dbraw/zinc/41/20/17/509412017.db2.gz NSGAAVQIABOPPZ-DZGCQCFKSA-N 1 2 359.478 2.885 10 0 FFAELO Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)n1 ZINC000189149894 509435993 /nfs/dbraw/zinc/43/59/93/509435993.db2.gz FCOVMEMIPULSLO-WBVHZDCISA-N 1 2 363.527 2.801 10 0 FFAELO Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)n1 ZINC000189149894 509435996 /nfs/dbraw/zinc/43/59/96/509435996.db2.gz FCOVMEMIPULSLO-WBVHZDCISA-N 1 2 363.527 2.801 10 0 FFAELO O=C(Nc1ccc(N2CCOC2=O)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000176348035 509458854 /nfs/dbraw/zinc/45/88/54/509458854.db2.gz PBVUYNAWIQCVMD-INIZCTEOSA-N 1 2 355.398 2.536 10 0 FFAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000164373060 509496058 /nfs/dbraw/zinc/49/60/58/509496058.db2.gz YNANCIARPNOPCR-OXJNMPFZSA-N 1 2 372.444 2.848 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCOCc1ccccc1)C2 ZINC000176443628 509514991 /nfs/dbraw/zinc/51/49/91/509514991.db2.gz HKIHQEQMUANILL-UHFFFAOYSA-N 1 2 356.470 2.828 10 0 FFAELO Cc1c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cccc1N1CCNC1=O ZINC000173350821 509547358 /nfs/dbraw/zinc/54/73/58/509547358.db2.gz RRLINIKKKKRSQL-INIZCTEOSA-N 1 2 353.426 2.615 10 0 FFAELO C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C[C@H]1[NH+]1CCOCC1 ZINC000173400143 509574591 /nfs/dbraw/zinc/57/45/91/509574591.db2.gz WIWBTBQDWRBSCJ-QVKFZJNVSA-N 1 2 367.493 2.839 10 0 FFAELO Cc1ccc([C@H](CNC(=O)CC[C@H]2CCCCO2)[NH+]2CCOCC2)s1 ZINC000176549438 509575933 /nfs/dbraw/zinc/57/59/33/509575933.db2.gz KYBFJHIUJDMENU-SJORKVTESA-N 1 2 366.527 2.895 10 0 FFAELO CO[C@H](C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1)c1ccccc1 ZINC000176555116 509581740 /nfs/dbraw/zinc/58/17/40/509581740.db2.gz YCAGKGLHYTXKHD-MJGOQNOKSA-N 1 2 374.506 2.934 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)c2cccc(F)c2)nc[nH+]1 ZINC000173418848 509585901 /nfs/dbraw/zinc/58/59/01/509585901.db2.gz BDUDZVPULARJCK-CJNGLKHVSA-N 1 2 357.433 2.546 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)c2cccc(F)c2)[nH+]cn1 ZINC000173418848 509585905 /nfs/dbraw/zinc/58/59/05/509585905.db2.gz BDUDZVPULARJCK-CJNGLKHVSA-N 1 2 357.433 2.546 10 0 FFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2ccc(Cl)nc2)c2cccs2)CCO1 ZINC000176589069 509599195 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CCOCCN1CC[N@@H+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C[C@H]1C ZINC000155093398 508921570 /nfs/dbraw/zinc/92/15/70/508921570.db2.gz GXSSZZUEULAKHY-MSOLQXFVSA-N 1 2 353.551 2.599 10 0 FFAELO CCOCCN1CC[N@H+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C[C@H]1C ZINC000155093398 508921574 /nfs/dbraw/zinc/92/15/74/508921574.db2.gz GXSSZZUEULAKHY-MSOLQXFVSA-N 1 2 353.551 2.599 10 0 FFAELO COc1ccc(/C=C/C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1O ZINC000125203862 508947138 /nfs/dbraw/zinc/94/71/38/508947138.db2.gz IMPDKYBKBUJQED-VQHVLOKHSA-N 1 2 353.422 2.548 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000151067987 508950420 /nfs/dbraw/zinc/95/04/20/508950420.db2.gz WIHMMCYRUFEJFN-UHFFFAOYSA-N 1 2 357.433 2.635 10 0 FFAELO C[C@@H](NC(=O)c1cccc2c1oc(=O)n2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000125241960 508953920 /nfs/dbraw/zinc/95/39/20/508953920.db2.gz YIXPDFCDVGIGOL-CYBMUJFWSA-N 1 2 362.389 2.808 10 0 FFAELO CC(=O)c1ccc(OCCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120254219 508958927 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2.861 10 0 FFAELO O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000155775618 509069402 /nfs/dbraw/zinc/06/94/02/509069402.db2.gz IQNDFUQNVBDQJD-MRXNPFEDSA-N 1 2 359.499 2.788 10 0 FFAELO CC[C@H](NC(=O)C[N@@H+]1CCC[C@H](NC(C)=O)C1)c1ccc(Cl)cc1 ZINC000120845179 509075264 /nfs/dbraw/zinc/07/52/64/509075264.db2.gz CFSOKIWFRITGTR-IRXDYDNUSA-N 1 2 351.878 2.508 10 0 FFAELO CC[C@H](NC(=O)C[N@H+]1CCC[C@H](NC(C)=O)C1)c1ccc(Cl)cc1 ZINC000120845179 509075266 /nfs/dbraw/zinc/07/52/66/509075266.db2.gz CFSOKIWFRITGTR-IRXDYDNUSA-N 1 2 351.878 2.508 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC2(CC(C)C)CC2)CC1 ZINC000126585086 509099349 /nfs/dbraw/zinc/09/93/49/509099349.db2.gz UURFIOOENLAHOE-UHFFFAOYSA-N 1 2 361.534 2.690 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000121009226 509108979 /nfs/dbraw/zinc/10/89/79/509108979.db2.gz MSGVBFXOBFNWAG-RBUKOAKNSA-N 1 2 358.530 2.898 10 0 FFAELO O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000156313404 509158846 /nfs/dbraw/zinc/15/88/46/509158846.db2.gz PFTFZMGVQRURCM-NSHDSACASA-N 1 2 367.375 2.594 10 0 FFAELO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)c(OC)c1 ZINC000195504980 509196908 /nfs/dbraw/zinc/19/69/08/509196908.db2.gz LXMYYETXQRGYGF-ZDUSSCGKSA-N 1 2 358.442 2.634 10 0 FFAELO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccccc1Br ZINC000195506739 509198817 /nfs/dbraw/zinc/19/88/17/509198817.db2.gz DYGGSOQKIUKVOO-UHFFFAOYSA-N 1 2 363.259 2.990 10 0 FFAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000195506036 509200870 /nfs/dbraw/zinc/20/08/70/509200870.db2.gz VLSJVZLJWOZVIS-UHFFFAOYSA-N 1 2 353.470 2.828 10 0 FFAELO O=C(c1cc(Cl)ccc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172747542 509209784 /nfs/dbraw/zinc/20/97/84/509209784.db2.gz IIXVYUGQOLOGHQ-GFCCVEGCSA-N 1 2 373.678 2.649 10 0 FFAELO O=C(CCSc1ccccc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172748885 509210938 /nfs/dbraw/zinc/21/09/38/509210938.db2.gz CLCRTJFVBPQWKQ-AWEZNQCLSA-N 1 2 354.903 2.755 10 0 FFAELO CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c[nH+]1 ZINC000162398548 509215971 /nfs/dbraw/zinc/21/59/71/509215971.db2.gz MWACAYUTGDIKTC-YLJYHZDGSA-N 1 2 360.502 2.764 10 0 FFAELO O=C(CCCc1ncc(-c2ccccc2)o1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172753515 509215998 /nfs/dbraw/zinc/21/59/98/509215998.db2.gz PCFJXCMVEZWDLE-SFHVURJKSA-N 1 2 369.465 2.597 10 0 FFAELO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000195673418 509217213 /nfs/dbraw/zinc/21/72/13/509217213.db2.gz XFTMZMRRCODROB-GRDNDAEWSA-N 1 2 357.454 2.599 10 0 FFAELO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000195673418 509217224 /nfs/dbraw/zinc/21/72/24/509217224.db2.gz XFTMZMRRCODROB-GRDNDAEWSA-N 1 2 357.454 2.599 10 0 FFAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c2ccccc2)[nH]1 ZINC000162623257 509266144 /nfs/dbraw/zinc/26/61/44/509266144.db2.gz ISGOMSCLUFOJRJ-ACJLOTCBSA-N 1 2 360.425 2.529 10 0 FFAELO CSCC[C@@H]1NC(=S)N([C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O 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354.516 2.689 10 0 FFAELO COCCC(C)(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000248424313 509312257 /nfs/dbraw/zinc/31/22/57/509312257.db2.gz GQOXJRJQZUFRIY-LSDHHAIUSA-N 1 2 354.516 2.689 10 0 FFAELO CC(=O)Nc1ccccc1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185753717 509339069 /nfs/dbraw/zinc/33/90/69/509339069.db2.gz OKMROGJLXYTFFD-UHFFFAOYSA-N 1 2 351.410 2.632 10 0 FFAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(N2CCCCC2)nc1 ZINC000182664331 509358092 /nfs/dbraw/zinc/35/80/92/509358092.db2.gz FGIKFFMLHWPANE-GOSISDBHSA-N 1 2 368.485 2.961 10 0 FFAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(N2CCCCC2)nc1 ZINC000182664331 509358104 /nfs/dbraw/zinc/35/81/04/509358104.db2.gz FGIKFFMLHWPANE-GOSISDBHSA-N 1 2 368.485 2.961 10 0 FFAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000173028788 509358437 /nfs/dbraw/zinc/35/84/37/509358437.db2.gz CUELLKRCQIQJFA-FXAWDEMLSA-N 1 2 368.481 2.765 10 0 FFAELO Cc1ncc(C[NH+]2CCN(Cc3nc(-c4ccccc4F)no3)CC2)s1 ZINC000189007340 509366271 /nfs/dbraw/zinc/36/62/71/509366271.db2.gz TWTREPQSLQTRSW-UHFFFAOYSA-N 1 2 373.457 2.958 10 0 FFAELO c1nnc([C@H]2CCCC[N@H+]2CCCCCn2nnc(-c3ccccc3)n2)[nH]1 ZINC000182694400 509376667 /nfs/dbraw/zinc/37/66/67/509376667.db2.gz YPPFRRUGDTXAAI-QGZVFWFLSA-N 1 2 366.473 2.856 10 0 FFAELO c1nnc([C@H]2CCCC[N@@H+]2CCCCCn2nnc(-c3ccccc3)n2)[nH]1 ZINC000182694400 509376673 /nfs/dbraw/zinc/37/66/73/509376673.db2.gz YPPFRRUGDTXAAI-QGZVFWFLSA-N 1 2 366.473 2.856 10 0 FFAELO c1nc([C@H]2CCCC[N@H+]2CCCCCn2nnc(-c3ccccc3)n2)n[nH]1 ZINC000182694400 509376679 /nfs/dbraw/zinc/37/66/79/509376679.db2.gz YPPFRRUGDTXAAI-QGZVFWFLSA-N 1 2 366.473 2.856 10 0 FFAELO c1nc([C@H]2CCCC[N@@H+]2CCCCCn2nnc(-c3ccccc3)n2)n[nH]1 ZINC000182694400 509376687 /nfs/dbraw/zinc/37/66/87/509376687.db2.gz YPPFRRUGDTXAAI-QGZVFWFLSA-N 1 2 366.473 2.856 10 0 FFAELO c1nnc([C@@H]2CCCC[N@H+]2CCCCCn2nnc(-c3ccccc3)n2)[nH]1 ZINC000182694420 509377409 /nfs/dbraw/zinc/37/74/09/509377409.db2.gz YPPFRRUGDTXAAI-KRWDZBQOSA-N 1 2 366.473 2.856 10 0 FFAELO c1nnc([C@@H]2CCCC[N@@H+]2CCCCCn2nnc(-c3ccccc3)n2)[nH]1 ZINC000182694420 509377412 /nfs/dbraw/zinc/37/74/12/509377412.db2.gz YPPFRRUGDTXAAI-KRWDZBQOSA-N 1 2 366.473 2.856 10 0 FFAELO c1nc([C@@H]2CCCC[N@H+]2CCCCCn2nnc(-c3ccccc3)n2)n[nH]1 ZINC000182694420 509377416 /nfs/dbraw/zinc/37/74/16/509377416.db2.gz YPPFRRUGDTXAAI-KRWDZBQOSA-N 1 2 366.473 2.856 10 0 FFAELO c1nc([C@@H]2CCCC[N@@H+]2CCCCCn2nnc(-c3ccccc3)n2)n[nH]1 ZINC000182694420 509377419 /nfs/dbraw/zinc/37/74/19/509377419.db2.gz YPPFRRUGDTXAAI-KRWDZBQOSA-N 1 2 366.473 2.856 10 0 FFAELO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000176240274 509397870 /nfs/dbraw/zinc/39/78/70/509397870.db2.gz WWWLICIIEZVLRL-JTQLQIEISA-N 1 2 369.541 2.915 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000248645349 509414269 /nfs/dbraw/zinc/41/42/69/509414269.db2.gz RAEVFIXNOOHCIS-VQIMIIECSA-N 1 2 356.470 2.550 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000248645349 509414273 /nfs/dbraw/zinc/41/42/73/509414273.db2.gz RAEVFIXNOOHCIS-VQIMIIECSA-N 1 2 356.470 2.550 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000248652619 509420017 /nfs/dbraw/zinc/42/00/17/509420017.db2.gz YEVXBZSUHWXHPD-HOTGVXAUSA-N 1 2 352.475 2.980 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000248652619 509420025 /nfs/dbraw/zinc/42/00/25/509420025.db2.gz YEVXBZSUHWXHPD-HOTGVXAUSA-N 1 2 352.475 2.980 10 0 FFAELO O=C(N[C@H]1C[C@H]1c1cccc(F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000248716165 509449124 /nfs/dbraw/zinc/44/91/24/509449124.db2.gz FUAUSLRYLFIZHX-ROUUACIJSA-N 1 2 354.429 2.999 10 0 FFAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000164373182 509495937 /nfs/dbraw/zinc/49/59/37/509495937.db2.gz YNANCIARPNOPCR-JXFKEZNVSA-N 1 2 372.444 2.848 10 0 FFAELO COCCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1C ZINC000173316014 509527535 /nfs/dbraw/zinc/52/75/35/509527535.db2.gz AAUPXSBAMVAHQX-IBGZPJMESA-N 1 2 358.486 2.895 10 0 FFAELO COCCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1C ZINC000173316014 509527538 /nfs/dbraw/zinc/52/75/38/509527538.db2.gz AAUPXSBAMVAHQX-IBGZPJMESA-N 1 2 358.486 2.895 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC[C@H]1CCCCO1 ZINC000176520047 509558040 /nfs/dbraw/zinc/55/80/40/509558040.db2.gz HJACUKBIVVIDRQ-IAGOWNOFSA-N 1 2 366.527 2.929 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1ccsc1 ZINC000176528379 509565472 /nfs/dbraw/zinc/56/54/72/509565472.db2.gz WDUJCRSBNALJDZ-HNNXBMFYSA-N 1 2 350.509 2.884 10 0 FFAELO Cc1nc(C2CCCC2)sc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173398061 509572777 /nfs/dbraw/zinc/57/27/77/509572777.db2.gz WKWPSASMBYEYGJ-CJNGLKHVSA-N 1 2 363.527 2.902 10 0 FFAELO Cc1nc(-c2cccc(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)c2)cs1 ZINC000173404128 509577085 /nfs/dbraw/zinc/57/70/85/509577085.db2.gz UJUSFFRCYXSREJ-AUUYWEPGSA-N 1 2 371.506 2.911 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)ccc2F)nc[nH+]1 ZINC000173409226 509581122 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2.966 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000184233685 510208538 /nfs/dbraw/zinc/20/85/38/510208538.db2.gz WCGPVMGAYXYQOE-XJKSGUPXSA-N 1 2 356.413 2.966 10 0 FFAELO CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](CO)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245963900 510230191 /nfs/dbraw/zinc/23/01/91/510230191.db2.gz DRVXSCBOLWGBSO-OAUYIBNBSA-N 1 2 369.868 2.638 10 0 FFAELO CC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](CO)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245963900 510230197 /nfs/dbraw/zinc/23/01/97/510230197.db2.gz DRVXSCBOLWGBSO-OAUYIBNBSA-N 1 2 369.868 2.638 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000184272517 510232024 /nfs/dbraw/zinc/23/20/24/510232024.db2.gz FTQSGMSEKDUBRU-IBGZPJMESA-N 1 2 374.529 2.579 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000184272517 510232029 /nfs/dbraw/zinc/23/20/29/510232029.db2.gz FTQSGMSEKDUBRU-IBGZPJMESA-N 1 2 374.529 2.579 10 0 FFAELO CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177786893 510253071 /nfs/dbraw/zinc/25/30/71/510253071.db2.gz GIJGHJLAONQVAL-LJQANCHMSA-N 1 2 368.481 2.802 10 0 FFAELO Cc1[nH]c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(C)c1C(=O)OC(C)C ZINC000177798275 510259122 /nfs/dbraw/zinc/25/91/22/510259122.db2.gz RZOYBRAIIPTDAP-OAHLLOKOSA-N 1 2 358.442 2.698 10 0 FFAELO Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177800342 510261289 /nfs/dbraw/zinc/26/12/89/510261289.db2.gz SVVGTAOJDFWOOZ-QGZVFWFLSA-N 1 2 372.494 2.554 10 0 FFAELO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3cn(-c4ccccc4)nn3)CC2)nn1 ZINC000246043595 510263009 /nfs/dbraw/zinc/26/30/09/510263009.db2.gz SHAAMUWSQOKAEG-QGZVFWFLSA-N 1 2 363.469 2.639 10 0 FFAELO Cc1ccc(N2CCC[N@H+]([C@H](C)c3cn(-c4ccccc4)nn3)CC2)nn1 ZINC000246043595 510263014 /nfs/dbraw/zinc/26/30/14/510263014.db2.gz SHAAMUWSQOKAEG-QGZVFWFLSA-N 1 2 363.469 2.639 10 0 FFAELO O=C(N1CC[C@@H]([NH+]2CCOCC2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187445430 510269354 /nfs/dbraw/zinc/26/93/54/510269354.db2.gz STKJBOVEEUDCFW-MRXNPFEDSA-N 1 2 368.399 2.670 10 0 FFAELO CCN(C(C)=O)c1nc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cs1 ZINC000171640664 510270743 /nfs/dbraw/zinc/27/07/43/510270743.db2.gz DKDWCUDTXLKKIC-UHFFFAOYSA-N 1 2 361.515 2.931 10 0 FFAELO CC(=O)c1ccc(NC(=O)CN2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647855 510278009 /nfs/dbraw/zinc/27/80/09/510278009.db2.gz NQHZNRQWDSYLMQ-MRXNPFEDSA-N 1 2 352.438 2.657 10 0 FFAELO C[C@@H]1CCN(C(=O)NC[C@@H](CCO)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000177835111 510279549 /nfs/dbraw/zinc/27/95/49/510279549.db2.gz PMQPANNAMMSGCG-BHIYHBOVSA-N 1 2 356.470 2.642 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000194263300 510283986 /nfs/dbraw/zinc/28/39/86/510283986.db2.gz LVSPJFQCDIQIQJ-CLOONOSVSA-N 1 2 359.495 2.980 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000174747960 510288158 /nfs/dbraw/zinc/28/81/58/510288158.db2.gz SNLAOMORJOBSGE-HNNXBMFYSA-N 1 2 367.440 2.750 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000174747960 510288166 /nfs/dbraw/zinc/28/81/66/510288166.db2.gz SNLAOMORJOBSGE-HNNXBMFYSA-N 1 2 367.440 2.750 10 0 FFAELO Cc1cc(C)c(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1Br ZINC000187525165 510315271 /nfs/dbraw/zinc/31/52/71/510315271.db2.gz ALBAWBJNGHGIBI-LBPRGKRZSA-N 1 2 356.264 2.518 10 0 FFAELO Cc1cc(C)c(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1Br ZINC000187525165 510315275 /nfs/dbraw/zinc/31/52/75/510315275.db2.gz ALBAWBJNGHGIBI-LBPRGKRZSA-N 1 2 356.264 2.518 10 0 FFAELO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705278 510319773 /nfs/dbraw/zinc/31/97/73/510319773.db2.gz VLTBBPUMXMCJOG-OCCSQVGLSA-N 1 2 363.849 2.604 10 0 FFAELO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705278 510319780 /nfs/dbraw/zinc/31/97/80/510319780.db2.gz VLTBBPUMXMCJOG-OCCSQVGLSA-N 1 2 363.849 2.604 10 0 FFAELO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187569637 510334559 /nfs/dbraw/zinc/33/45/59/510334559.db2.gz CWZISDYUNDEVOJ-WMZOPIPTSA-N 1 2 353.447 2.782 10 0 FFAELO CC[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000246168422 510334749 /nfs/dbraw/zinc/33/47/49/510334749.db2.gz FFXDLQCHKVZCPB-XHSDSOJGSA-N 1 2 351.516 2.951 10 0 FFAELO CC[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)C1 ZINC000246168422 510334756 /nfs/dbraw/zinc/33/47/56/510334756.db2.gz FFXDLQCHKVZCPB-XHSDSOJGSA-N 1 2 351.516 2.951 10 0 FFAELO CCOc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190784971 510342992 /nfs/dbraw/zinc/34/29/92/510342992.db2.gz CBIJQFQBHUIIQK-LJQANCHMSA-N 1 2 372.469 2.704 10 0 FFAELO CCOc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190784971 510342996 /nfs/dbraw/zinc/34/29/96/510342996.db2.gz CBIJQFQBHUIIQK-LJQANCHMSA-N 1 2 372.469 2.704 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC1(O)CCCCC1 ZINC000177968712 510350442 /nfs/dbraw/zinc/35/04/42/510350442.db2.gz FACQNVRTRGVNAX-INIZCTEOSA-N 1 2 366.527 2.665 10 0 FFAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000190836123 510366147 /nfs/dbraw/zinc/36/61/47/510366147.db2.gz FVCNHXSAMFLMII-CQSZACIVSA-N 1 2 359.478 2.540 10 0 FFAELO C[C@H](COCc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000246215795 510369627 /nfs/dbraw/zinc/36/96/27/510369627.db2.gz PNTHCWXTQBGYRB-SJLPKXTDSA-N 1 2 356.470 2.703 10 0 FFAELO C[C@H](COCc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000246215795 510369632 /nfs/dbraw/zinc/36/96/32/510369632.db2.gz PNTHCWXTQBGYRB-SJLPKXTDSA-N 1 2 356.470 2.703 10 0 FFAELO O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246231165 510377640 /nfs/dbraw/zinc/37/76/40/510377640.db2.gz WQQWXBJVEWFVDT-QXAKKESOSA-N 1 2 371.481 2.598 10 0 FFAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)cc4c3OCOC4)[C@H]2C1 ZINC000246257549 510392196 /nfs/dbraw/zinc/39/21/96/510392196.db2.gz GYTUDAMRHZXBIK-IXDOHACOSA-N 1 2 353.846 2.975 10 0 FFAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Cl)cc4c3OCOC4)[C@H]2C1 ZINC000246257549 510392204 /nfs/dbraw/zinc/39/22/04/510392204.db2.gz GYTUDAMRHZXBIK-IXDOHACOSA-N 1 2 353.846 2.975 10 0 FFAELO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)c3nnc4n3CCCC4)C2=O)c(C)c1 ZINC000190972562 510444459 /nfs/dbraw/zinc/44/44/59/510444459.db2.gz KFBGCIBRUNTTQD-SJORKVTESA-N 1 2 367.497 2.996 10 0 FFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N(C)Cc2ccncc2)c2cccs2)CCO1 ZINC000175027718 510445387 /nfs/dbraw/zinc/44/53/87/510445387.db2.gz HDAJTJKVIKEMNG-WBVHZDCISA-N 1 2 374.510 2.747 10 0 FFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N(C)Cc2ccncc2)c2cccs2)CCO1 ZINC000175027718 510445392 /nfs/dbraw/zinc/44/53/92/510445392.db2.gz HDAJTJKVIKEMNG-WBVHZDCISA-N 1 2 374.510 2.747 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc(F)c2C)nc[nH+]1 ZINC000175033007 510450070 /nfs/dbraw/zinc/45/00/70/510450070.db2.gz BDAZNQHBKXSWFO-ZDUSSCGKSA-N 1 2 358.421 2.756 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc(F)c2C)[nH+]cn1 ZINC000175033007 510450079 /nfs/dbraw/zinc/45/00/79/510450079.db2.gz BDAZNQHBKXSWFO-ZDUSSCGKSA-N 1 2 358.421 2.756 10 0 FFAELO Cc1c(-c2cc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3cc(F)ccc3F)on2)cnn1C ZINC000184685487 510461448 /nfs/dbraw/zinc/46/14/48/510461448.db2.gz ICQLKQNYDDKVMF-ORAYPTAESA-N 1 2 374.391 2.970 10 0 FFAELO Cc1c(-c2cc(C[N@H+]3C[C@@H](O)C[C@@H]3c3cc(F)ccc3F)on2)cnn1C ZINC000184685487 510461458 /nfs/dbraw/zinc/46/14/58/510461458.db2.gz ICQLKQNYDDKVMF-ORAYPTAESA-N 1 2 374.391 2.970 10 0 FFAELO C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175057016 510462575 /nfs/dbraw/zinc/46/25/75/510462575.db2.gz DMQCEDUXMGMQPN-CQSZACIVSA-N 1 2 366.396 2.619 10 0 FFAELO C[C@H](CNC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)[NH+]1CCOCC1 ZINC000187865262 510477278 /nfs/dbraw/zinc/47/72/78/510477278.db2.gz QNEHLPMRHLVYIG-GFCCVEGCSA-N 1 2 374.378 2.713 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1Oc3ccccc3O[C@H]1C)C2 ZINC000172003471 510493375 /nfs/dbraw/zinc/49/33/75/510493375.db2.gz LWYQQNGTFMFLAJ-SCLBCKFNSA-N 1 2 355.438 2.657 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H](C)c2cccs2)CC1 ZINC000172059901 510520844 /nfs/dbraw/zinc/52/08/44/510520844.db2.gz FXYDVXXBCSIMRT-CQSZACIVSA-N 1 2 361.515 2.687 10 0 FFAELO CN1CCC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1=O ZINC000191135773 510521381 /nfs/dbraw/zinc/52/13/81/510521381.db2.gz FCLFBVXTTJTTRS-LJQANCHMSA-N 1 2 362.433 2.990 10 0 FFAELO CN1CCC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1=O ZINC000191135773 510521390 /nfs/dbraw/zinc/52/13/90/510521390.db2.gz FCLFBVXTTJTTRS-LJQANCHMSA-N 1 2 362.433 2.990 10 0 FFAELO CCc1nnc(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)n1C ZINC000178334937 510552279 /nfs/dbraw/zinc/55/22/79/510552279.db2.gz XFPXGBNHKXXNQS-UHFFFAOYSA-N 1 2 365.466 2.858 10 0 FFAELO C[C@H]1CC[C@@H](CCC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)O1 ZINC000246654821 510602567 /nfs/dbraw/zinc/60/25/67/510602567.db2.gz BZXMZWVRDKVVSA-VVLHAWIVSA-N 1 2 366.527 2.974 10 0 FFAELO C[C@H]1CC[C@@H](CCC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)O1 ZINC000246654821 510602571 /nfs/dbraw/zinc/60/25/71/510602571.db2.gz BZXMZWVRDKVVSA-VVLHAWIVSA-N 1 2 366.527 2.974 10 0 FFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)OCC(F)(F)F)c2cccs2)CCO1 ZINC000175358345 510608317 /nfs/dbraw/zinc/60/83/17/510608317.db2.gz YPFJQSSUEFNANW-MNOVXSKESA-N 1 2 352.378 2.798 10 0 FFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)OCC(F)(F)F)c2cccs2)CCO1 ZINC000175358345 510608326 /nfs/dbraw/zinc/60/83/26/510608326.db2.gz YPFJQSSUEFNANW-MNOVXSKESA-N 1 2 352.378 2.798 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)CCc2cscn2)c2cccs2)CCO1 ZINC000246666061 510608709 /nfs/dbraw/zinc/60/87/09/510608709.db2.gz CNCVZPMYUBVCEJ-UKRRQHHQSA-N 1 2 365.524 2.715 10 0 FFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)CCc2cscn2)c2cccs2)CCO1 ZINC000246666061 510608713 /nfs/dbraw/zinc/60/87/13/510608713.db2.gz CNCVZPMYUBVCEJ-UKRRQHHQSA-N 1 2 365.524 2.715 10 0 FFAELO CCc1nnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)n1C ZINC000195065960 510656415 /nfs/dbraw/zinc/65/64/15/510656415.db2.gz BGIASHWXTSJDKL-MRXNPFEDSA-N 1 2 356.474 2.554 10 0 FFAELO CCc1nnc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)n1C ZINC000195065960 510656421 /nfs/dbraw/zinc/65/64/21/510656421.db2.gz BGIASHWXTSJDKL-MRXNPFEDSA-N 1 2 356.474 2.554 10 0 FFAELO Cc1nc(C)n(C[C@@H]2CCCN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)C2)n1 ZINC000172328978 510672552 /nfs/dbraw/zinc/67/25/52/510672552.db2.gz ROESTWYDZCMVPF-MAUKXSAKSA-N 1 2 369.517 2.838 10 0 FFAELO Cc1nc(C)n(C[C@@H]2CCCN(c3cc(N4CCC[C@H](C)C4)nc[nH+]3)C2)n1 ZINC000172328978 510672559 /nfs/dbraw/zinc/67/25/59/510672559.db2.gz ROESTWYDZCMVPF-MAUKXSAKSA-N 1 2 369.517 2.838 10 0 FFAELO CCCCOCCNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000178611919 510687413 /nfs/dbraw/zinc/68/74/13/510687413.db2.gz HBXVFPWLSURQNT-MRXNPFEDSA-N 1 2 369.531 2.546 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2[nH]nc3ccccc32)c2cccs2)CCO1 ZINC000246834448 510701270 /nfs/dbraw/zinc/70/12/70/510701270.db2.gz LBZJALMPDDSBON-CZUORRHYSA-N 1 2 370.478 2.816 10 0 FFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2[nH]nc3ccccc32)c2cccs2)CCO1 ZINC000246834448 510701277 /nfs/dbraw/zinc/70/12/77/510701277.db2.gz LBZJALMPDDSBON-CZUORRHYSA-N 1 2 370.478 2.816 10 0 FFAELO COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000246848490 510707129 /nfs/dbraw/zinc/70/71/29/510707129.db2.gz OYQRENUPYQBGPB-KSZLIROESA-N 1 2 367.449 2.566 10 0 FFAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)C1 ZINC000246864519 510716571 /nfs/dbraw/zinc/71/65/71/510716571.db2.gz WCSFMNOJKIPAFH-SCGCMHLBSA-N 1 2 352.425 2.577 10 0 FFAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)C1 ZINC000246864519 510716579 /nfs/dbraw/zinc/71/65/79/510716579.db2.gz WCSFMNOJKIPAFH-SCGCMHLBSA-N 1 2 352.425 2.577 10 0 FFAELO C[C@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000191610878 510749442 /nfs/dbraw/zinc/74/94/42/510749442.db2.gz GVLTYDAOZJLDOS-CVEARBPZSA-N 1 2 366.889 2.678 10 0 FFAELO C[C@@H](COCc1ccccc1)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178787078 510772321 /nfs/dbraw/zinc/77/23/21/510772321.db2.gz ULNSCBPPJAREOC-FUHWJXTLSA-N 1 2 354.454 2.565 10 0 FFAELO CCOc1cc(C[N@@H+]2CCCN(C)C(=O)C2)ccc1OCC(F)(F)F ZINC000191666064 510779042 /nfs/dbraw/zinc/77/90/42/510779042.db2.gz DFIAVHLUWOSQFV-UHFFFAOYSA-N 1 2 360.376 2.691 10 0 FFAELO CCOc1cc(C[N@H+]2CCCN(C)C(=O)C2)ccc1OCC(F)(F)F ZINC000191666064 510779051 /nfs/dbraw/zinc/77/90/51/510779051.db2.gz DFIAVHLUWOSQFV-UHFFFAOYSA-N 1 2 360.376 2.691 10 0 FFAELO CCCN(CC)c1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000247052252 510817352 /nfs/dbraw/zinc/81/73/52/510817352.db2.gz ZJIGXXMIFCOGAG-XLIONFOSSA-N 1 2 359.514 2.716 10 0 FFAELO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000247211058 510852369 /nfs/dbraw/zinc/85/23/69/510852369.db2.gz VECCILSYRXMIEW-JKSUJKDBSA-N 1 2 365.905 2.690 10 0 FFAELO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000247211058 510852370 /nfs/dbraw/zinc/85/23/70/510852370.db2.gz VECCILSYRXMIEW-JKSUJKDBSA-N 1 2 365.905 2.690 10 0 FFAELO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000247211058 510852372 /nfs/dbraw/zinc/85/23/72/510852372.db2.gz VECCILSYRXMIEW-JKSUJKDBSA-N 1 2 365.905 2.690 10 0 FFAELO CC(C)c1cccc(O[C@@H](C)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000247245778 510854010 /nfs/dbraw/zinc/85/40/10/510854010.db2.gz YIENNNDUXQNQEF-ZWOKBUDYSA-N 1 2 360.498 2.756 10 0 FFAELO O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247255209 510854507 /nfs/dbraw/zinc/85/45/07/510854507.db2.gz ZJUXLPWMCRHTCF-QHAWAJNXSA-N 1 2 350.462 2.876 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](CCO)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332747138 511098542 /nfs/dbraw/zinc/09/85/42/511098542.db2.gz QZXMPGVXLQOEBE-AFAVFJNCSA-N 1 2 369.868 2.638 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](CCO)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332747138 511098547 /nfs/dbraw/zinc/09/85/47/511098547.db2.gz QZXMPGVXLQOEBE-AFAVFJNCSA-N 1 2 369.868 2.638 10 0 FFAELO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC2(CCC2)[C@@H]1C1CC1)C1CCOCC1 ZINC000332881776 511137817 /nfs/dbraw/zinc/13/78/17/511137817.db2.gz CZEJLIZUNSHMNL-IRXDYDNUSA-N 1 2 358.486 2.862 10 0 FFAELO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333271799 511184425 /nfs/dbraw/zinc/18/44/25/511184425.db2.gz CPJIFFHODZCAQN-GUDVDZBRSA-N 1 2 368.481 2.870 10 0 FFAELO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333271799 511184428 /nfs/dbraw/zinc/18/44/28/511184428.db2.gz CPJIFFHODZCAQN-GUDVDZBRSA-N 1 2 368.481 2.870 10 0 FFAELO C[C@H]1C[N@H+](CC(=O)NC[C@H]2CCc3ccccc3O2)Cc2ccccc2O1 ZINC000299759757 511671820 /nfs/dbraw/zinc/67/18/20/511671820.db2.gz OUQXQEMLRAUFTB-QFBILLFUSA-N 1 2 366.461 2.780 10 0 FFAELO C[C@H]1C[N@@H+](CC(=O)NC[C@H]2CCc3ccccc3O2)Cc2ccccc2O1 ZINC000299759757 511671822 /nfs/dbraw/zinc/67/18/22/511671822.db2.gz OUQXQEMLRAUFTB-QFBILLFUSA-N 1 2 366.461 2.780 10 0 FFAELO CCc1nn(C)cc1C(=O)N1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000328624520 511895837 /nfs/dbraw/zinc/89/58/37/511895837.db2.gz CLENASJUYQVYAF-OAHLLOKOSA-N 1 2 370.501 2.550 10 0 FFAELO Cn1ccnc1[C@H]1OCCC[C@@H]1Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000328621845 511895992 /nfs/dbraw/zinc/89/59/92/511895992.db2.gz IAEDRHCDLWULIT-KBPBESRZSA-N 1 2 355.446 2.647 10 0 FFAELO CNC(=O)c1ccc(C[NH2+][C@H](c2nc(C(C)C)no2)C2CCOCC2)cc1 ZINC000328621912 511896561 /nfs/dbraw/zinc/89/65/61/511896561.db2.gz IBCUOIYGIUTSMY-KRWDZBQOSA-N 1 2 372.469 2.810 10 0 FFAELO OC[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@H]1c1ccc(Cl)cc1 ZINC000377971075 512531981 /nfs/dbraw/zinc/53/19/81/512531981.db2.gz NEWYAUWSNBXVFI-RDJZCZTQSA-N 1 2 358.873 2.943 10 0 FFAELO OC[C@@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@H]1c1ccc(Cl)cc1 ZINC000377971075 512531983 /nfs/dbraw/zinc/53/19/83/512531983.db2.gz NEWYAUWSNBXVFI-RDJZCZTQSA-N 1 2 358.873 2.943 10 0 FFAELO CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)o1 ZINC000378170495 512623463 /nfs/dbraw/zinc/62/34/63/512623463.db2.gz XBKPZMJJHVPKPU-MRXNPFEDSA-N 1 2 357.458 2.580 10 0 FFAELO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC[C@@H](n3cncn3)C2)nc[nH+]1 ZINC000275486786 519806870 /nfs/dbraw/zinc/80/68/70/519806870.db2.gz AHNFAEUYJZLGHE-GJYPPUQNSA-N 1 2 371.489 2.525 10 0 FFAELO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC[C@@H](n3cncn3)C2)[nH+]cn1 ZINC000275486786 519806871 /nfs/dbraw/zinc/80/68/71/519806871.db2.gz AHNFAEUYJZLGHE-GJYPPUQNSA-N 1 2 371.489 2.525 10 0 FFAELO CCCn1c(C)nn(CN2CC[NH+](Cc3cnc(C)s3)CC2)c1=S ZINC000132314785 728724173 /nfs/dbraw/zinc/72/41/73/728724173.db2.gz RBHVBNIBTRGBEN-UHFFFAOYSA-N 1 2 366.560 2.673 10 0 FFAELO CC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(c3ccnn3C)CC2)C1 ZINC000152211403 728749805 /nfs/dbraw/zinc/74/98/05/728749805.db2.gz QTAFAWOSPOIGPD-CQSZACIVSA-N 1 2 360.527 2.995 10 0 FFAELO Cc1nc(C[C@@H]2CCC[N@H+](Cn3c4ccc(Cl)cc4oc3=O)C2)no1 ZINC000171358490 729002829 /nfs/dbraw/zinc/00/28/29/729002829.db2.gz BHNZSTFOQOIEJA-LBPRGKRZSA-N 1 2 362.817 2.852 10 0 FFAELO Cc1nc(C[C@@H]2CCC[N@@H+](Cn3c4ccc(Cl)cc4oc3=O)C2)no1 ZINC000171358490 729002834 /nfs/dbraw/zinc/00/28/34/729002834.db2.gz BHNZSTFOQOIEJA-LBPRGKRZSA-N 1 2 362.817 2.852 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)c(Cl)[nH]2)nc[nH+]1 ZINC000173439825 729047201 /nfs/dbraw/zinc/04/72/01/729047201.db2.gz GKNVKUSKOHHPMZ-VIFPVBQESA-N 1 2 369.256 2.552 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)c(Cl)[nH]2)[nH+]cn1 ZINC000173439825 729047203 /nfs/dbraw/zinc/04/72/03/729047203.db2.gz GKNVKUSKOHHPMZ-VIFPVBQESA-N 1 2 369.256 2.552 10 0 FFAELO C/C(=C\C(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccccc1OC(F)F ZINC000177591457 729140095 /nfs/dbraw/zinc/14/00/95/729140095.db2.gz PHDUPLDOPVSFHF-YPDDLIOESA-N 1 2 354.397 2.528 10 0 FFAELO CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177750658 729145276 /nfs/dbraw/zinc/14/52/76/729145276.db2.gz HZGXJQAOVOXZFF-HUUCEWRRSA-N 1 2 350.463 2.568 10 0 FFAELO CCc1nnc(C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1C ZINC000178467921 729162560 /nfs/dbraw/zinc/16/25/60/729162560.db2.gz RFVSQWITQFVYGM-CQSZACIVSA-N 1 2 353.511 2.749 10 0 FFAELO CCc1nnc(C[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1C ZINC000178467921 729162564 /nfs/dbraw/zinc/16/25/64/729162564.db2.gz RFVSQWITQFVYGM-CQSZACIVSA-N 1 2 353.511 2.749 10 0 FFAELO Cc1nc(-c2ccccc2)sc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000184457531 729327046 /nfs/dbraw/zinc/32/70/46/729327046.db2.gz KUQVQZWHNUBHSZ-CYBMUJFWSA-N 1 2 360.483 2.961 10 0 FFAELO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190425340 729408275 /nfs/dbraw/zinc/40/82/75/729408275.db2.gz NDWTZHVUBGLLNH-CYBMUJFWSA-N 1 2 357.838 2.670 10 0 FFAELO CC[C@H]1CCc2nc(NC(=O)NC[C@H](C)[NH+]3CCOCC3)sc2C1 ZINC000194483787 729511420 /nfs/dbraw/zinc/51/14/20/729511420.db2.gz QKYVHJNWJCEWGJ-STQMWFEESA-N 1 2 352.504 2.500 10 0 FFAELO O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1COCC[NH2+]1 ZINC000237859898 729564482 /nfs/dbraw/zinc/56/44/82/729564482.db2.gz AYJPLTDLHPXSFT-LBPRGKRZSA-N 1 2 372.277 2.968 10 0 FFAELO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CCS1 ZINC000246139333 729581226 /nfs/dbraw/zinc/58/12/26/729581226.db2.gz NPWMISLRMAGAQL-ZBEGNZNMSA-N 1 2 353.875 2.502 10 0 FFAELO C[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CCS1 ZINC000246139333 729581228 /nfs/dbraw/zinc/58/12/28/729581228.db2.gz NPWMISLRMAGAQL-ZBEGNZNMSA-N 1 2 353.875 2.502 10 0 FFAELO CC[C@@]1(C(C)C)NC(=O)N(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)C1=O ZINC000247115061 729594253 /nfs/dbraw/zinc/59/42/53/729594253.db2.gz PKQUIVGFAPGIHQ-KDOFPFPSSA-N 1 2 364.515 2.945 10 0 FFAELO CC[C@@]1(C(C)C)NC(=O)N(C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)C1=O ZINC000247115061 729594257 /nfs/dbraw/zinc/59/42/57/729594257.db2.gz PKQUIVGFAPGIHQ-KDOFPFPSSA-N 1 2 364.515 2.945 10 0 FFAELO Cc1nc(C[C@@H]2CCC[N@H+](CN3C[C@@H](CC(C)(C)C)OC3=O)C2)no1 ZINC000248919277 729613158 /nfs/dbraw/zinc/61/31/58/729613158.db2.gz KKSRJVAHHGFVNT-LSDHHAIUSA-N 1 2 350.463 2.847 10 0 FFAELO Cc1nc(C[C@@H]2CCC[N@@H+](CN3C[C@@H](CC(C)(C)C)OC3=O)C2)no1 ZINC000248919277 729613160 /nfs/dbraw/zinc/61/31/60/729613160.db2.gz KKSRJVAHHGFVNT-LSDHHAIUSA-N 1 2 350.463 2.847 10 0 FFAELO Cc1nc([C@@H]2CCCN2c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)cs1 ZINC000334057188 729813512 /nfs/dbraw/zinc/81/35/12/729813512.db2.gz VZBJXUGKOOHWOW-NOLJZWGESA-N 1 2 359.499 2.790 10 0 FFAELO Cc1nc([C@@H]2CCCN2c2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)cs1 ZINC000334057188 729813514 /nfs/dbraw/zinc/81/35/14/729813514.db2.gz VZBJXUGKOOHWOW-NOLJZWGESA-N 1 2 359.499 2.790 10 0 FFAELO CC[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102932074 250128882 /nfs/dbraw/zinc/12/88/82/250128882.db2.gz MNIFDTXIRGTIMM-UHFFFAOYSA-N 1 2 363.465 2.991 10 0 FFAELO CC[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102932074 250128886 /nfs/dbraw/zinc/12/88/86/250128886.db2.gz MNIFDTXIRGTIMM-UHFFFAOYSA-N 1 2 363.465 2.991 10 0 FFAELO Nc1nc(C[NH+]2CCC(n3cncn3)CC2)nc2sc3c(c21)CCCC3 ZINC000103471972 250155079 /nfs/dbraw/zinc/15/50/79/250155079.db2.gz FSBUCMWOUYCWTC-UHFFFAOYSA-N 1 2 369.498 2.581 10 0 FFAELO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106071502 250230866 /nfs/dbraw/zinc/23/08/66/250230866.db2.gz IYQLJVREMROXHG-OAHLLOKOSA-N 1 2 371.510 2.738 10 0 FFAELO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106071502 250230870 /nfs/dbraw/zinc/23/08/70/250230870.db2.gz IYQLJVREMROXHG-OAHLLOKOSA-N 1 2 371.510 2.738 10 0 FFAELO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c(C)c1 ZINC000106155856 250244286 /nfs/dbraw/zinc/24/42/86/250244286.db2.gz MVHIXLPONXITET-GOSISDBHSA-N 1 2 369.513 2.572 10 0 FFAELO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c(C)c1 ZINC000106155856 250244290 /nfs/dbraw/zinc/24/42/90/250244290.db2.gz MVHIXLPONXITET-GOSISDBHSA-N 1 2 369.513 2.572 10 0 FFAELO CCc1noc([C@H](C)[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000106161149 250246932 /nfs/dbraw/zinc/24/69/32/250246932.db2.gz PTKFUPMYKSIVOC-KBPBESRZSA-N 1 2 350.488 2.760 10 0 FFAELO CCc1noc([C@H](C)[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000106161149 250246934 /nfs/dbraw/zinc/24/69/34/250246934.db2.gz PTKFUPMYKSIVOC-KBPBESRZSA-N 1 2 350.488 2.760 10 0 FFAELO Cc1ccc(N2CCC[N@H+](Cc3nc(-c4cccs4)no3)CC2)nn1 ZINC000106072231 250229178 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365.437 2.741 10 0 FFAELO CCC(CC)c1nnc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000177717046 510213778 /nfs/dbraw/zinc/21/37/78/510213778.db2.gz KQYJPJIWIZSYMK-GXTWGEPZSA-N 1 2 367.519 2.626 10 0 FFAELO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)[C@H](C)C(F)(F)F)cc1F ZINC000184267238 510229369 /nfs/dbraw/zinc/22/93/69/510229369.db2.gz OSCHBUFTXOGYJV-SECBINFHSA-N 1 2 365.352 2.690 10 0 FFAELO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000190596687 510229352 /nfs/dbraw/zinc/22/93/52/510229352.db2.gz XJXPIMGYJYCTJG-AWEZNQCLSA-N 1 2 361.392 2.660 10 0 FFAELO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000190596687 510229360 /nfs/dbraw/zinc/22/93/60/510229360.db2.gz XJXPIMGYJYCTJG-AWEZNQCLSA-N 1 2 361.392 2.660 10 0 FFAELO COc1ccc(CC[C@H](C)Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1 ZINC000246049685 510264493 /nfs/dbraw/zinc/26/44/93/510264493.db2.gz CNUNDXINXZFOOG-RDJZCZTQSA-N 1 2 356.470 2.880 10 0 FFAELO COc1ccc(CC[C@H](C)Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1 ZINC000246049685 510264501 /nfs/dbraw/zinc/26/45/01/510264501.db2.gz CNUNDXINXZFOOG-RDJZCZTQSA-N 1 2 356.470 2.880 10 0 FFAELO COc1ccc(CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000174714663 510266625 /nfs/dbraw/zinc/26/66/25/510266625.db2.gz BMWWWVOHFSGLNO-CQSZACIVSA-N 1 2 351.410 2.836 10 0 FFAELO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)c1C ZINC000171639987 510267858 /nfs/dbraw/zinc/26/78/58/510267858.db2.gz GVOBNTODZMTGOT-UHFFFAOYSA-N 1 2 358.442 2.594 10 0 FFAELO O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665124 510294306 /nfs/dbraw/zinc/29/43/06/510294306.db2.gz NAWDREBTHOZPOE-ZFWWWQNUSA-N 1 2 354.859 2.610 10 0 FFAELO O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665124 510294312 /nfs/dbraw/zinc/29/43/12/510294312.db2.gz NAWDREBTHOZPOE-ZFWWWQNUSA-N 1 2 354.859 2.610 10 0 FFAELO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174783605 510310211 /nfs/dbraw/zinc/31/02/11/510310211.db2.gz CCHYMFYJBVNRLV-IBGZPJMESA-N 1 2 362.905 2.542 10 0 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OC[C@H]1CCCN1c1cc(N2CCC(Nc3ccccc3F)CC2)nc[nH+]1 ZINC000301418804 258048391 /nfs/dbraw/zinc/04/83/91/258048391.db2.gz MWFUFMNLPCMNPA-MRXNPFEDSA-N 1 2 371.460 2.658 10 0 FFAELO O=C(c1csc(NC2CC2)n1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328678672 258117512 /nfs/dbraw/zinc/11/75/12/258117512.db2.gz MNMYVDRNGWSYRN-CQSZACIVSA-N 1 2 362.886 2.579 10 0 FFAELO O=C(c1csc(=NC2CC2)[nH]1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328678672 258117513 /nfs/dbraw/zinc/11/75/13/258117513.db2.gz MNMYVDRNGWSYRN-CQSZACIVSA-N 1 2 362.886 2.579 10 0 FFAELO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(O[C@H]3CCOC3)cc1)CCC2 ZINC000329865327 258149431 /nfs/dbraw/zinc/14/94/31/258149431.db2.gz AEABDMWWXURYAU-WMZOPIPTSA-N 1 2 355.438 2.667 10 0 FFAELO CC(C)n1cc2cc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)ccc2n1 ZINC000330036139 258153433 /nfs/dbraw/zinc/15/34/33/258153433.db2.gz XZFUCGSHKJUEIJ-QGZVFWFLSA-N 1 2 357.458 2.556 10 0 FFAELO Cc1csc([C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCO2)n1 ZINC000329009955 258126676 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Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NCc2cccc(F)c2)CC1 ZINC000034684210 136117923 /nfs/dbraw/zinc/11/79/23/136117923.db2.gz FCWDCTLYHBCKHW-KRWDZBQOSA-N 1 2 355.457 2.961 10 0 FFAELO CCN(CC)c1[nH+]cnc(N2CCN(c3cccc(C)c3C)CC2)c1N ZINC000054537263 136125572 /nfs/dbraw/zinc/12/55/72/136125572.db2.gz WTMSRZNOLQPKQV-UHFFFAOYSA-N 1 2 354.502 2.848 10 0 FFAELO CCN(CC)c1nc[nH+]c(N2CCN(c3cccc(C)c3C)CC2)c1N ZINC000054537263 136125573 /nfs/dbraw/zinc/12/55/73/136125573.db2.gz WTMSRZNOLQPKQV-UHFFFAOYSA-N 1 2 354.502 2.848 10 0 FFAELO Cc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000040436486 506483634 /nfs/dbraw/zinc/48/36/34/506483634.db2.gz XWOKOURAHQBIAK-CQSZACIVSA-N 1 2 373.316 2.616 10 0 FFAELO Cc1ccc(Br)cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000040436486 506483638 /nfs/dbraw/zinc/48/36/38/506483638.db2.gz XWOKOURAHQBIAK-CQSZACIVSA-N 1 2 373.316 2.616 10 0 FFAELO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)N(C)C)CC2)c1 ZINC000006776055 506505565 /nfs/dbraw/zinc/50/55/65/506505565.db2.gz LIRPWHGINDDKSY-UHFFFAOYSA-N 1 2 367.497 2.796 10 0 FFAELO CCCCOc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1OCC ZINC000047510013 507347804 /nfs/dbraw/zinc/34/78/04/507347804.db2.gz PPSUSCAPZYOOMM-MRXNPFEDSA-N 1 2 364.486 2.715 10 0 FFAELO C[C@H]1C[NH+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@H](C)O1 ZINC000051115245 507740199 /nfs/dbraw/zinc/74/01/99/507740199.db2.gz QPXTUZLNDKOCNR-ROUUACIJSA-N 1 2 368.477 2.991 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2Sc2ccccc2)C1 ZINC000107341416 507845092 /nfs/dbraw/zinc/84/50/92/507845092.db2.gz OVBPVRQCWBYSHW-KRWDZBQOSA-N 1 2 371.506 2.968 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2Sc2ccccc2)C1 ZINC000107341416 507845093 /nfs/dbraw/zinc/84/50/93/507845093.db2.gz OVBPVRQCWBYSHW-KRWDZBQOSA-N 1 2 371.506 2.968 10 0 FFAELO CCCN(CCC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000078670933 507895349 /nfs/dbraw/zinc/89/53/49/507895349.db2.gz VVMAVRKFSCUNBH-UHFFFAOYSA-N 1 2 351.516 2.545 10 0 FFAELO CCCN(CCC)C(=O)C[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000078670933 507895351 /nfs/dbraw/zinc/89/53/51/507895351.db2.gz VVMAVRKFSCUNBH-UHFFFAOYSA-N 1 2 351.516 2.545 10 0 FFAELO O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000109082071 507937361 /nfs/dbraw/zinc/93/73/61/507937361.db2.gz GPGSQLBZVNRDTN-IAGOWNOFSA-N 1 2 357.404 2.808 10 0 FFAELO COc1ccc([C@H](NC(=O)C[C@@H](O)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000091032291 507944418 /nfs/dbraw/zinc/94/44/18/507944418.db2.gz HQBNYEWUDDHBMP-QUCCMNQESA-N 1 2 365.433 2.758 10 0 FFAELO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000079252189 507947847 /nfs/dbraw/zinc/94/78/47/507947847.db2.gz HFQPLFZYJSZSTI-LBPRGKRZSA-N 1 2 368.865 2.531 10 0 FFAELO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000073866238 507962126 /nfs/dbraw/zinc/96/21/26/507962126.db2.gz XDTUUQZKOXHYAV-AEFFLSMTSA-N 1 2 363.889 2.834 10 0 FFAELO O=C(c1ccc(Cl)s1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000109643864 507975010 /nfs/dbraw/zinc/97/50/10/507975010.db2.gz MWDFYQDHPHHVAB-AWEZNQCLSA-N 1 2 350.871 2.893 10 0 FFAELO O=C(c1ccc2ncccc2c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000109645828 507975150 /nfs/dbraw/zinc/97/51/50/507975150.db2.gz YYHHJSIWDMCZCE-NRFANRHFSA-N 1 2 361.445 2.726 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)COC3CCCCC3)CC2)cs1 ZINC000109650923 507975829 /nfs/dbraw/zinc/97/58/29/507975829.db2.gz YAFCSJPHQVOIJU-UHFFFAOYSA-N 1 2 351.516 2.835 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)COC3CCCCC3)CC2)cs1 ZINC000109650923 507975832 /nfs/dbraw/zinc/97/58/32/507975832.db2.gz YAFCSJPHQVOIJU-UHFFFAOYSA-N 1 2 351.516 2.835 10 0 FFAELO Cc1cccc(-c2noc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)n2)c1 ZINC000109819681 507990001 /nfs/dbraw/zinc/99/00/01/507990001.db2.gz WBQJOYRZVNGHKF-GOSISDBHSA-N 1 2 356.470 2.732 10 0 FFAELO OC[C@H]1CCCN1c1cc(NCc2cccc(OCC(F)F)c2)[nH+]cn1 ZINC000110485113 508029966 /nfs/dbraw/zinc/02/99/66/508029966.db2.gz HWWCDNRAGJUFSW-CQSZACIVSA-N 1 2 364.396 2.694 10 0 FFAELO OC[C@H]1CCCN1c1cc(NCc2cccc(OCC(F)F)c2)nc[nH+]1 ZINC000110485113 508029967 /nfs/dbraw/zinc/02/99/67/508029967.db2.gz HWWCDNRAGJUFSW-CQSZACIVSA-N 1 2 364.396 2.694 10 0 FFAELO CCOc1ccc(CC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000110943657 508058142 /nfs/dbraw/zinc/05/81/42/508058142.db2.gz XQDXINBHCHGJAO-UHFFFAOYSA-N 1 2 359.495 2.737 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cc(Br)c[nH]3)CC2)s1 ZINC000110943546 508058243 /nfs/dbraw/zinc/05/82/43/508058243.db2.gz GCWHSDSTVFQIRE-UHFFFAOYSA-N 1 2 369.288 2.500 10 0 FFAELO Cc1ccc(N2CCCN(c3cc(C)[nH+]c(-c4ccncc4)n3)CC2)nn1 ZINC000112080258 508149169 /nfs/dbraw/zinc/14/91/69/508149169.db2.gz VTXOCFAVVGYVSK-UHFFFAOYSA-N 1 2 361.453 2.662 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@@H]3CCN(c4ccccc4F)C3=O)CC2)s1 ZINC000112345328 508176613 /nfs/dbraw/zinc/17/66/13/508176613.db2.gz ZSCLOLRZYSSHRQ-GOSISDBHSA-N 1 2 374.485 2.514 10 0 FFAELO C[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471157 508210499 /nfs/dbraw/zinc/21/04/99/508210499.db2.gz ARYMVDAPNMNMIQ-KUHUBIRLSA-N 1 2 354.410 2.733 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000113299619 508259737 /nfs/dbraw/zinc/25/97/37/508259737.db2.gz JDXHOOBSMUJSBA-UHFFFAOYSA-N 1 2 353.875 2.944 10 0 FFAELO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113859873 508283591 /nfs/dbraw/zinc/28/35/91/508283591.db2.gz XXBVWCUYYSQXMX-UHFFFAOYSA-N 1 2 373.501 2.520 10 0 FFAELO Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484530 508321211 /nfs/dbraw/zinc/32/12/11/508321211.db2.gz GMBAPPLLGOEUNT-GOSISDBHSA-N 1 2 356.470 2.749 10 0 FFAELO Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484530 508321215 /nfs/dbraw/zinc/32/12/15/508321215.db2.gz GMBAPPLLGOEUNT-GOSISDBHSA-N 1 2 356.470 2.749 10 0 FFAELO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000114720138 508341556 /nfs/dbraw/zinc/34/15/56/508341556.db2.gz SLLZUHYSJCKKNO-INIZCTEOSA-N 1 2 366.469 2.739 10 0 FFAELO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000114720138 508341558 /nfs/dbraw/zinc/34/15/58/508341558.db2.gz SLLZUHYSJCKKNO-INIZCTEOSA-N 1 2 366.469 2.739 10 0 FFAELO Cc1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000104798781 508347617 /nfs/dbraw/zinc/34/76/17/508347617.db2.gz CSUYJILPVMCKNV-INIZCTEOSA-N 1 2 363.483 2.692 10 0 FFAELO Cc1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000104798781 508347618 /nfs/dbraw/zinc/34/76/18/508347618.db2.gz CSUYJILPVMCKNV-INIZCTEOSA-N 1 2 363.483 2.692 10 0 FFAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(COc2ccc(F)cc2)o1 ZINC000115150997 508371996 /nfs/dbraw/zinc/37/19/96/508371996.db2.gz MXONMMKMHITWKF-SFHVURJKSA-N 1 2 374.412 2.591 10 0 FFAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(COc2ccc(F)cc2)o1 ZINC000115150997 508371998 /nfs/dbraw/zinc/37/19/98/508371998.db2.gz MXONMMKMHITWKF-SFHVURJKSA-N 1 2 374.412 2.591 10 0 FFAELO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000077778367 508372383 /nfs/dbraw/zinc/37/23/83/508372383.db2.gz COCCXTSIMCUDOW-VIFPVBQESA-N 1 2 351.765 2.699 10 0 FFAELO Cc1ncc(C[NH+]2CCN(CC(=O)N(C3CC3)C3CCCC3)CC2)s1 ZINC000106089979 508392464 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O=C(c1cccnc1Sc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172766713 509222895 /nfs/dbraw/zinc/22/28/95/509222895.db2.gz QYLYFEHAZYITFB-INIZCTEOSA-N 1 2 369.490 2.780 10 0 FFAELO O=C(CCc1cccc(OC2CCCC2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172768611 509223681 /nfs/dbraw/zinc/22/36/81/509223681.db2.gz RKOCXVSTHKEPQL-IBGZPJMESA-N 1 2 372.509 2.874 10 0 FFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000191969102 509269213 /nfs/dbraw/zinc/26/92/13/509269213.db2.gz HKTWDTJZFXADCJ-DEOSSOPVSA-N 1 2 350.394 2.816 10 0 FFAELO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000179123652 509273922 /nfs/dbraw/zinc/27/39/22/509273922.db2.gz LTFSISNTAOWZHK-INIZCTEOSA-N 1 2 371.868 2.949 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)CCCOC(C)C)[NH+]2CCOCC2)s1 ZINC000182506703 509276286 /nfs/dbraw/zinc/27/62/86/509276286.db2.gz LXOOQJWENIKVIK-MRXNPFEDSA-N 1 2 354.516 2.751 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCSC[C@@H]2C)c2cccs2)CCO1 ZINC000248368562 509277880 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CCOc1cc(C[N@H+]2CCCNC(=O)[C@H]2C)ccc1OCC(F)(F)F ZINC000189088785 509406123 /nfs/dbraw/zinc/40/61/23/509406123.db2.gz WMTMMAIBCDGAFX-GFCCVEGCSA-N 1 2 360.376 2.737 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1ccccc1Cl)C2 ZINC000182793743 509427545 /nfs/dbraw/zinc/42/75/45/509427545.db2.gz YSXLCDBUDWKFHQ-UHFFFAOYSA-N 1 2 360.845 2.720 10 0 FFAELO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnnn3C3CCCCC3)CC2)nn1 ZINC000189134681 509428538 /nfs/dbraw/zinc/42/85/38/509428538.db2.gz DJKVGWLIBQCERN-INIZCTEOSA-N 1 2 370.505 2.550 10 0 FFAELO Cc1ccc(N2CCC[N@H+]([C@@H](C)c3nnnn3C3CCCCC3)CC2)nn1 ZINC000189134681 509428545 /nfs/dbraw/zinc/42/85/45/509428545.db2.gz DJKVGWLIBQCERN-INIZCTEOSA-N 1 2 370.505 2.550 10 0 FFAELO CCCCS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000192294419 509446743 /nfs/dbraw/zinc/44/67/43/509446743.db2.gz YWPWXRKNISBQSQ-KRWDZBQOSA-N 1 2 364.511 2.571 10 0 FFAELO CCCCS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000192294419 509446749 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CCOCc1cc(C[N@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)ccc1OC ZINC000179537502 509499966 /nfs/dbraw/zinc/49/99/66/509499966.db2.gz HDXIJFBKLPNKNA-HXUWFJFHSA-N 1 2 373.497 2.946 10 0 FFAELO O=S(=O)(/C=C/c1ccc(F)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186106113 509524047 /nfs/dbraw/zinc/52/40/47/509524047.db2.gz USGNTCXSUQYRMM-OQLLNIDSSA-N 1 2 361.442 2.734 10 0 FFAELO COC(=O)[C@@H](c1ccccc1F)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000173333721 509536783 /nfs/dbraw/zinc/53/67/83/509536783.db2.gz LNALKFPRNKHGFM-QGZVFWFLSA-N 1 2 363.458 2.623 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1cccc(O)c1 ZINC000176538080 509569919 /nfs/dbraw/zinc/56/99/19/509569919.db2.gz JGEOMSBLYOGTBD-QGZVFWFLSA-N 1 2 360.479 2.528 10 0 FFAELO Cc1ccc(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)c(O)c1 ZINC000176539066 509571988 /nfs/dbraw/zinc/57/19/88/509571988.db2.gz OPXQBOXCHITHDN-INIZCTEOSA-N 1 2 360.479 2.908 10 0 FFAELO Cc1nc(C2CCCC2)sc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173398044 509572973 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CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCCC[C@H]3O)c2C1 ZINC000247145938 510844984 /nfs/dbraw/zinc/84/49/84/510844984.db2.gz YHNYGRLFSMRRND-FOIQADDNSA-N 1 2 367.493 2.894 10 0 FFAELO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCCC[C@H]3O)c2C1 ZINC000247145938 510844986 /nfs/dbraw/zinc/84/49/86/510844986.db2.gz YHNYGRLFSMRRND-FOIQADDNSA-N 1 2 367.493 2.894 10 0 FFAELO CCN(C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1)c1ccccc1 ZINC000247581048 510866378 /nfs/dbraw/zinc/86/63/78/510866378.db2.gz ILCAPGHFTNUDGM-UYAOXDASSA-N 1 2 370.497 2.642 10 0 FFAELO CCN(C(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1)c1ccccc1 ZINC000247581048 510866379 /nfs/dbraw/zinc/86/63/79/510866379.db2.gz ILCAPGHFTNUDGM-UYAOXDASSA-N 1 2 370.497 2.642 10 0 FFAELO C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247625941 510867231 /nfs/dbraw/zinc/86/72/31/510867231.db2.gz NMYBICQVGXOAAY-QMTHXVAHSA-N 1 2 359.373 2.572 10 0 FFAELO CCc1noc([C@@H](C)[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000247773115 510869978 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FFAELO O=C(C[N@H+]1C[C@H](F)C[C@@H]1CO)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000444758865 514318981 /nfs/dbraw/zinc/31/89/81/514318981.db2.gz GMIHSDOMKRRSCB-LMMKCTJWSA-N 1 2 352.425 2.578 10 0 FFAELO O=C(C[N@@H+]1C[C@H](F)C[C@@H]1CO)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000444758865 514318986 /nfs/dbraw/zinc/31/89/86/514318986.db2.gz GMIHSDOMKRRSCB-LMMKCTJWSA-N 1 2 352.425 2.578 10 0 FFAELO O=C(NCc1cc(Cl)ccc1Br)[C@H]1CC(F)(F)C[NH2+]1 ZINC000519823570 517206207 /nfs/dbraw/zinc/20/62/07/517206207.db2.gz GREOJNFMOWJJDY-SNVBAGLBSA-N 1 2 353.594 2.716 10 0 FFAELO O=C(CCc1ccccn1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275395341 526617084 /nfs/dbraw/zinc/61/70/84/526617084.db2.gz AUSFFTLOYBRFJX-SFHVURJKSA-N 1 2 366.465 2.689 10 0 FFAELO C[C@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CCS1 ZINC000080470819 728328536 /nfs/dbraw/zinc/32/85/36/728328536.db2.gz WJEPERJGFWOPII-HNNXBMFYSA-N 1 2 362.543 2.868 10 0 FFAELO CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C(=O)N(C)C)CC2)C1 ZINC000102764364 728492353 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ZINC000042497790 249392261 /nfs/dbraw/zinc/39/22/61/249392261.db2.gz YDYVAVIKFAVOCG-VMPITWQZSA-N 1 2 364.405 2.614 10 0 FFAELO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000103478492 250156670 /nfs/dbraw/zinc/15/66/70/250156670.db2.gz QYTLWQFNGSRAOR-OAHLLOKOSA-N 1 2 357.458 2.515 10 0 FFAELO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000103478492 250156673 /nfs/dbraw/zinc/15/66/73/250156673.db2.gz QYTLWQFNGSRAOR-OAHLLOKOSA-N 1 2 357.458 2.515 10 0 FFAELO CN(C)c1[nH+]cccc1CNC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000105343358 250209960 /nfs/dbraw/zinc/20/99/60/250209960.db2.gz MXRFUNDAFRDVPZ-UHFFFAOYSA-N 1 2 350.426 2.870 10 0 FFAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081799 250232250 /nfs/dbraw/zinc/23/22/50/250232250.db2.gz BCZXYQFMYUXQMA-AWEZNQCLSA-N 1 2 367.453 2.583 10 0 FFAELO CSc1cccc(NC(=O)C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000106083032 250232446 /nfs/dbraw/zinc/23/24/46/250232446.db2.gz MHTZFRIYXXXQFN-UHFFFAOYSA-N 1 2 357.483 2.714 10 0 FFAELO Cc1nc(CN2CCC[N@@H+]([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)no1 ZINC000106147637 250244431 /nfs/dbraw/zinc/24/44/31/250244431.db2.gz OIIQHCFVTNHOMB-INIZCTEOSA-N 1 2 371.485 2.530 10 0 FFAELO Cc1nc(CN2CCC[N@H+]([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)no1 ZINC000106147637 250244434 /nfs/dbraw/zinc/24/44/34/250244434.db2.gz OIIQHCFVTNHOMB-INIZCTEOSA-N 1 2 371.485 2.530 10 0 FFAELO CC(C)Cc1noc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000106161240 250247413 /nfs/dbraw/zinc/24/74/13/250247413.db2.gz BEQHLMVZYVAHOP-OAHLLOKOSA-N 1 2 364.515 2.835 10 0 FFAELO CC(C)Cc1noc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000106161240 250247418 /nfs/dbraw/zinc/24/74/18/250247418.db2.gz BEQHLMVZYVAHOP-OAHLLOKOSA-N 1 2 364.515 2.835 10 0 FFAELO CC(C)c1c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000105995308 250226254 /nfs/dbraw/zinc/22/62/54/250226254.db2.gz PCYZTGGGLOUFGU-OAHLLOKOSA-N 1 2 374.460 2.585 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)N1CCc3ccccc31)C2 ZINC000106370411 250265800 /nfs/dbraw/zinc/26/58/00/250265800.db2.gz PMMMJPPJWDCKTF-OAHLLOKOSA-N 1 2 352.482 2.879 10 0 FFAELO C[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000106520871 250273035 /nfs/dbraw/zinc/27/30/35/250273035.db2.gz VWJQUNLCMPIXHL-RHSMWYFYSA-N 1 2 365.441 2.988 10 0 FFAELO CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000106186018 250251966 /nfs/dbraw/zinc/25/19/66/250251966.db2.gz FUXKBJLWYFBYPK-HNNXBMFYSA-N 1 2 354.454 2.825 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3C)CCO2)c1 ZINC000106196861 250253604 /nfs/dbraw/zinc/25/36/04/250253604.db2.gz PARMEJXNIRXKGH-ROUUACIJSA-N 1 2 356.470 2.536 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3C)CCO2)c1 ZINC000106196861 250253606 /nfs/dbraw/zinc/25/36/06/250253606.db2.gz PARMEJXNIRXKGH-ROUUACIJSA-N 1 2 356.470 2.536 10 0 FFAELO FC(F)(F)COc1cccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000106189253 250253765 /nfs/dbraw/zinc/25/37/65/250253765.db2.gz KTCAOCGKRNYTNB-MRXNPFEDSA-N 1 2 355.360 2.725 10 0 FFAELO FC(F)(F)COc1cccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000106189253 250253768 /nfs/dbraw/zinc/25/37/68/250253768.db2.gz KTCAOCGKRNYTNB-MRXNPFEDSA-N 1 2 355.360 2.725 10 0 FFAELO Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3ccnn3C3CCCC3)C2)c1 ZINC000106223536 250260002 /nfs/dbraw/zinc/26/00/02/250260002.db2.gz JTJHPWLESJIJBZ-KRWDZBQOSA-N 1 2 356.474 2.779 10 0 FFAELO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3ccnn3C3CCCC3)C2)c1 ZINC000106223536 250260005 /nfs/dbraw/zinc/26/00/05/250260005.db2.gz JTJHPWLESJIJBZ-KRWDZBQOSA-N 1 2 356.474 2.779 10 0 FFAELO CCOc1ccc(CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1F ZINC000106257984 250262471 /nfs/dbraw/zinc/26/24/71/250262471.db2.gz YCCDLRDKCZKWFL-UHFFFAOYSA-N 1 2 356.401 2.914 10 0 FFAELO CN(Cc1ccccn1)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000012320826 207360340 /nfs/dbraw/zinc/36/03/40/207360340.db2.gz KCPUDRNCZUNSOY-UHFFFAOYSA-N 1 2 350.422 2.974 10 0 FFAELO CN(Cc1ccccn1)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000012320826 207360347 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C[N@H+]1CCO[C@@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)C1 ZINC000176278700 509418328 /nfs/dbraw/zinc/41/83/28/509418328.db2.gz FHHBMTCSIAPQED-ZDUSSCGKSA-N 1 2 357.281 2.862 10 0 FFAELO C[C@H](NC(=O)NCCNC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176296881 509428051 /nfs/dbraw/zinc/42/80/51/509428051.db2.gz BFOGUVLYPVEJMJ-AWEZNQCLSA-N 1 2 373.457 2.757 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc(C)c(F)cc2F)CC1 ZINC000176398315 509487023 /nfs/dbraw/zinc/48/70/23/509487023.db2.gz GTPQACVSDRIJEO-UHFFFAOYSA-N 1 2 362.424 2.582 10 0 FFAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000164372946 509496236 /nfs/dbraw/zinc/49/62/36/509496236.db2.gz YNANCIARPNOPCR-UZLBHIALSA-N 1 2 372.444 2.848 10 0 FFAELO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000179568018 509517585 /nfs/dbraw/zinc/51/75/85/509517585.db2.gz PZGPKRFTIXIOKB-UHFFFAOYSA-N 1 2 374.312 2.797 10 0 FFAELO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000179568018 509517591 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CC[N@@H+](CCCNC(=O)N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000158449564 508705764 /nfs/dbraw/zinc/70/57/64/508705764.db2.gz MDVYNHUMQICLLO-INIZCTEOSA-N 1 2 370.501 2.891 10 0 FFAELO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000154088101 508715011 /nfs/dbraw/zinc/71/50/11/508715011.db2.gz QYFQMVZNGFVHRH-HZPDHXFCSA-N 1 2 352.394 2.589 10 0 FFAELO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCCO1 ZINC000136968203 508728555 /nfs/dbraw/zinc/72/85/55/508728555.db2.gz YAQLBXJEWUMFOS-PBHICJAKSA-N 1 2 351.878 2.735 10 0 FFAELO CCn1cc[nH+]c1C[S@](=O)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000137111738 508737623 /nfs/dbraw/zinc/73/76/23/508737623.db2.gz YSVKMLZQEVQBQE-RUZDIDTESA-N 1 2 360.439 2.719 10 0 FFAELO CCNC(=O)Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(Br)c[nH+]1 ZINC000141040475 508811536 /nfs/dbraw/zinc/81/15/36/508811536.db2.gz ILPADHRJEXHTTO-AOOOYVTPSA-N 1 2 357.252 2.599 10 0 FFAELO COc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)sc1Br ZINC000119554775 508818129 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Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)NCc3ccc(C)cc3)CC2)s1 ZINC000106090728 508392384 /nfs/dbraw/zinc/39/23/84/508392384.db2.gz ZVQKSQISTNUUEX-INIZCTEOSA-N 1 2 372.538 2.582 10 0 FFAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000106091472 508393008 /nfs/dbraw/zinc/39/30/08/508393008.db2.gz MEQYZYYOVCJQND-NVXWUHKLSA-N 1 2 364.559 2.749 10 0 FFAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000106091472 508393009 /nfs/dbraw/zinc/39/30/09/508393009.db2.gz MEQYZYYOVCJQND-NVXWUHKLSA-N 1 2 364.559 2.749 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000127352550 508436652 /nfs/dbraw/zinc/43/66/52/508436652.db2.gz KCVMNIYBMYOOAZ-IKGGRYGDSA-N 1 2 368.399 2.788 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000127352550 508436657 /nfs/dbraw/zinc/43/66/57/508436657.db2.gz KCVMNIYBMYOOAZ-IKGGRYGDSA-N 1 2 368.399 2.788 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000127352791 508437285 /nfs/dbraw/zinc/43/72/85/508437285.db2.gz KCVMNIYBMYOOAZ-ZACQAIPSSA-N 1 2 368.399 2.788 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000127352791 508437288 /nfs/dbraw/zinc/43/72/88/508437288.db2.gz KCVMNIYBMYOOAZ-ZACQAIPSSA-N 1 2 368.399 2.788 10 0 FFAELO O=C(c1ccc(Br)c(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000127436231 508449967 /nfs/dbraw/zinc/44/99/67/508449967.db2.gz RTOXPKJQHSJKJU-LBPRGKRZSA-N 1 2 373.678 2.649 10 0 FFAELO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127539665 508465123 /nfs/dbraw/zinc/46/51/23/508465123.db2.gz KCOIQHPYKWQRLN-INIZCTEOSA-N 1 2 357.479 2.712 10 0 FFAELO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127539665 508465125 /nfs/dbraw/zinc/46/51/25/508465125.db2.gz KCOIQHPYKWQRLN-INIZCTEOSA-N 1 2 357.479 2.712 10 0 FFAELO Cc1cnn(CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000152618751 508480581 /nfs/dbraw/zinc/48/05/81/508480581.db2.gz PSAWHVIXIMDSGC-RTBURBONSA-N 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/nfs/dbraw/zinc/59/98/05/508599805.db2.gz XEKPURXJZSQYEJ-VSGCLNPGSA-N 1 2 362.437 2.691 10 0 FFAELO CCCOc1cccc(CCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1 ZINC000135516811 508616021 /nfs/dbraw/zinc/61/60/21/508616021.db2.gz WXHJGOAWPUZAEA-QGZVFWFLSA-N 1 2 356.470 2.881 10 0 FFAELO CCCOc1cccc(CCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1 ZINC000135516811 508616023 /nfs/dbraw/zinc/61/60/23/508616023.db2.gz WXHJGOAWPUZAEA-QGZVFWFLSA-N 1 2 356.470 2.881 10 0 FFAELO OC[C@@H]1CCCN(c2cc(NCC3(c4ccccc4F)CC3)[nH+]cn2)C1 ZINC000123102175 508636697 /nfs/dbraw/zinc/63/66/97/508636697.db2.gz BIDPJMVTGMIVQM-OAHLLOKOSA-N 1 2 356.445 2.968 10 0 FFAELO OC[C@@H]1CCCN(c2cc(NCC3(c4ccccc4F)CC3)nc[nH+]2)C1 ZINC000123102175 508636699 /nfs/dbraw/zinc/63/66/99/508636699.db2.gz BIDPJMVTGMIVQM-OAHLLOKOSA-N 1 2 356.445 2.968 10 0 FFAELO [NH2+]=C1N[C@@]2(CO1)c1cc(O)ccc1Oc1ccc(Br)c(F)c12 ZINC000118745921 508668906 /nfs/dbraw/zinc/66/89/06/508668906.db2.gz HAOSXHPJEWPADA-HNNXBMFYSA-N 1 2 365.158 2.988 10 0 FFAELO Cc1cccc(-c2cncc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c2)c1 ZINC000158820910 508755867 /nfs/dbraw/zinc/75/58/67/508755867.db2.gz YGNPFYVMKCALOA-FQEVSTJZSA-N 1 2 351.450 2.604 10 0 FFAELO C[C@H](C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)C1CCOCC1 ZINC000154947924 508890033 /nfs/dbraw/zinc/89/00/33/508890033.db2.gz IJFMVNQHBOZUSF-DOTOQJQBSA-N 1 2 366.527 2.643 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)C1 ZINC000125042121 508922619 /nfs/dbraw/zinc/92/26/19/508922619.db2.gz ANHIEBRPDXJLLU-CZUORRHYSA-N 1 2 355.429 2.682 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)C1 ZINC000125042121 508922625 /nfs/dbraw/zinc/92/26/25/508922625.db2.gz ANHIEBRPDXJLLU-CZUORRHYSA-N 1 2 355.429 2.682 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC000155176134 508940722 /nfs/dbraw/zinc/94/07/22/508940722.db2.gz MSVXDRFIZFTJIG-NRFANRHFSA-N 1 2 366.509 2.875 10 0 FFAELO COc1cc(/C=C/C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc2c1OCCO2 ZINC000120170225 508942141 /nfs/dbraw/zinc/94/21/41/508942141.db2.gz PWRQFWWUNFPZIV-NFAHFFEMSA-N 1 2 369.421 2.957 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000151124643 508962001 /nfs/dbraw/zinc/96/20/01/508962001.db2.gz IOOWCGGMILUXIF-SNVBAGLBSA-N 1 2 351.756 2.811 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000151124643 508962002 /nfs/dbraw/zinc/96/20/02/508962002.db2.gz IOOWCGGMILUXIF-SNVBAGLBSA-N 1 2 351.756 2.811 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)/C=C/c1cccc(O)c1 ZINC000155412344 508995511 /nfs/dbraw/zinc/99/55/11/508995511.db2.gz NOIXCAIBCGHDHH-DVBCCOPCSA-N 1 2 372.490 2.999 10 0 FFAELO COCCOc1ccc(C[NH+]2CCN(Cc3cnc(C)s3)CC2)cc1 ZINC000120456079 509000788 /nfs/dbraw/zinc/00/07/88/509000788.db2.gz DCEQZZLAUSLCMC-UHFFFAOYSA-N 1 2 361.511 2.795 10 0 FFAELO COCCOc1ccc(CN2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000120456079 509000794 /nfs/dbraw/zinc/00/07/94/509000794.db2.gz DCEQZZLAUSLCMC-UHFFFAOYSA-N 1 2 361.511 2.795 10 0 FFAELO C[C@H](CNC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000126532237 509091068 /nfs/dbraw/zinc/09/10/68/509091068.db2.gz LQQZYTMLICHYGO-GFCCVEGCSA-N 1 2 360.285 2.856 10 0 FFAELO Cn1nccc1C1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000156088037 509124584 /nfs/dbraw/zinc/12/45/84/509124584.db2.gz FQWZTLCCZKXRKE-UHFFFAOYSA-N 1 2 368.485 2.505 10 0 FFAELO C[C@H](NC(=O)N[C@@H]1CCc2n[nH]cc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000133246001 509136898 /nfs/dbraw/zinc/13/68/98/509136898.db2.gz SNLNLFLJQXBXRJ-XJKSGUPXSA-N 1 2 350.426 2.513 10 0 FFAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)C1 ZINC000121254839 509157959 /nfs/dbraw/zinc/15/79/59/509157959.db2.gz WCSFMNOJKIPAFH-ZFHGCVPZSA-N 1 2 352.425 2.577 10 0 FFAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)C1 ZINC000121254839 509157961 /nfs/dbraw/zinc/15/79/61/509157961.db2.gz WCSFMNOJKIPAFH-ZFHGCVPZSA-N 1 2 352.425 2.577 10 0 FFAELO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507847 509200447 /nfs/dbraw/zinc/20/04/47/509200447.db2.gz YIIUDHLUPHATJC-OAHLLOKOSA-N 1 2 365.481 2.818 10 0 FFAELO O=C(c1cc(-c2cccc(Cl)c2)on1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172756679 509216605 /nfs/dbraw/zinc/21/66/05/509216605.db2.gz NNAFSNCSYIGZBI-HNNXBMFYSA-N 1 2 361.829 2.542 10 0 FFAELO C[C@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2F)C[C@H]1[NH+]1CCOCC1 ZINC000185556893 509235747 /nfs/dbraw/zinc/23/57/47/509235747.db2.gz HYCOHCGGTNKSKS-XJKSGUPXSA-N 1 2 368.880 2.936 10 0 FFAELO C[C@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000185556859 509236210 /nfs/dbraw/zinc/23/62/10/509236210.db2.gz HYCOHCGGTNKSKS-BBRMVZONSA-N 1 2 368.880 2.936 10 0 FFAELO Cc1c(Br)scc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000185556617 509236405 /nfs/dbraw/zinc/23/64/05/509236405.db2.gz TVILWYQFSXVUNA-ZWNOBZJWSA-N 1 2 373.316 2.612 10 0 FFAELO COC(=O)c1cc2cc(C[N@@H+]3CCO[C@H](Cn4cc(C)cn4)C3)ccc2o1 ZINC000172793700 509238698 /nfs/dbraw/zinc/23/86/98/509238698.db2.gz QNDXBISZLGKUSW-KRWDZBQOSA-N 1 2 369.421 2.625 10 0 FFAELO COC(=O)c1cc2cc(C[N@H+]3CCO[C@H](Cn4cc(C)cn4)C3)ccc2o1 ZINC000172793700 509238706 /nfs/dbraw/zinc/23/87/06/509238706.db2.gz QNDXBISZLGKUSW-KRWDZBQOSA-N 1 2 369.421 2.625 10 0 FFAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c2ccccc2)[nH]1 ZINC000162622887 509265818 /nfs/dbraw/zinc/26/58/18/509265818.db2.gz ISGOMSCLUFOJRJ-SCLBCKFNSA-N 1 2 360.425 2.529 10 0 FFAELO C[C@@]([NH3+])(C#N)COc1cccc(O[C@@H]2CCCCO2)c1Br ZINC000222304772 509313544 /nfs/dbraw/zinc/31/35/44/509313544.db2.gz ADLMLIXONHWINX-UKRRQHHQSA-N 1 2 355.232 2.974 10 0 FFAELO COCCOc1ccc(CC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000192104412 509347954 /nfs/dbraw/zinc/34/79/54/509347954.db2.gz RWACQQVSLCXANP-UHFFFAOYSA-N 1 2 371.481 2.696 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000248623335 509398425 /nfs/dbraw/zinc/39/84/25/509398425.db2.gz BWEGVHKDZXGXSF-XLIONFOSSA-N 1 2 359.514 2.965 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000248623335 509398428 /nfs/dbraw/zinc/39/84/28/509398428.db2.gz BWEGVHKDZXGXSF-XLIONFOSSA-N 1 2 359.514 2.965 10 0 FFAELO CCOC(C)(C)CNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000189113541 509416309 /nfs/dbraw/zinc/41/63/09/509416309.db2.gz IBYVKVASWWXERZ-OAHLLOKOSA-N 1 2 369.531 2.544 10 0 FFAELO O=C1C[C@@H](N[C@@H](c2[nH]cc[nH+]2)c2ccncc2)CN1c1c(F)cccc1F ZINC000189158079 509441341 /nfs/dbraw/zinc/44/13/41/509441341.db2.gz DNJBJYNPBDYWAH-CXAGYDPISA-N 1 2 369.375 2.567 10 0 FFAELO O=C1C[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2ccncc2)CN1c1c(F)cccc1F ZINC000189158079 509441344 /nfs/dbraw/zinc/44/13/44/509441344.db2.gz DNJBJYNPBDYWAH-CXAGYDPISA-N 1 2 369.375 2.567 10 0 FFAELO O=C(Nc1cccc(N2CCCC2=O)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176337443 509453992 /nfs/dbraw/zinc/45/39/92/509453992.db2.gz ZIYUCATYWSGDNW-QGZVFWFLSA-N 1 2 353.426 2.706 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)c2ccccc2C)nc[nH+]1 ZINC000173243855 509475397 /nfs/dbraw/zinc/47/53/97/509475397.db2.gz RQGBNICEAOGGLM-JKSUJKDBSA-N 1 2 368.485 2.856 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)c2ccccc2C)[nH+]cn1 ZINC000173243855 509475400 /nfs/dbraw/zinc/47/54/00/509475400.db2.gz RQGBNICEAOGGLM-JKSUJKDBSA-N 1 2 368.485 2.856 10 0 FFAELO CC(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)no1 ZINC000186018584 509482507 /nfs/dbraw/zinc/48/25/07/509482507.db2.gz KSWUBTJHCZQOFZ-MJBXVCDLSA-N 1 2 350.463 2.928 10 0 FFAELO CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)no1 ZINC000186018584 509482513 /nfs/dbraw/zinc/48/25/13/509482513.db2.gz KSWUBTJHCZQOFZ-MJBXVCDLSA-N 1 2 350.463 2.928 10 0 FFAELO COC(=O)CC1(CC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CCCC1 ZINC000189280023 509497833 /nfs/dbraw/zinc/49/78/33/509497833.db2.gz CWYCPQIOTUPTCA-UHFFFAOYSA-N 1 2 361.486 2.942 10 0 FFAELO O=C(c1ccc2[nH+]ccn2c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176429682 509506011 /nfs/dbraw/zinc/50/60/11/509506011.db2.gz JVSJEFMKMBSEKL-OAHLLOKOSA-N 1 2 350.426 2.630 10 0 FFAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000189329825 509523422 /nfs/dbraw/zinc/52/34/22/509523422.db2.gz ODHADXSDSZVGGT-LLVKDONJSA-N 1 2 364.243 2.815 10 0 FFAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000189329825 509523430 /nfs/dbraw/zinc/52/34/30/509523430.db2.gz ODHADXSDSZVGGT-LLVKDONJSA-N 1 2 364.243 2.815 10 0 FFAELO CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000176469962 509529664 /nfs/dbraw/zinc/52/96/64/509529664.db2.gz UMKZROZCLATNQB-ZDUSSCGKSA-N 1 2 357.458 2.609 10 0 FFAELO COc1ccc(OC)c2c1C[N@@H+]([C@H]1CCc3ccccc3NC1=O)C[C@H]2O ZINC000248915185 509544601 /nfs/dbraw/zinc/54/46/01/509544601.db2.gz ZIVIFDWPJOPVKX-DLBZAZTESA-N 1 2 368.433 2.506 10 0 FFAELO COc1ccc(OC)c2c1C[N@H+]([C@H]1CCc3ccccc3NC1=O)C[C@H]2O ZINC000248915185 509544602 /nfs/dbraw/zinc/54/46/02/509544602.db2.gz ZIVIFDWPJOPVKX-DLBZAZTESA-N 1 2 368.433 2.506 10 0 FFAELO C[C@@H]1CC[C@@H](CCC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)O1 ZINC000176546382 509574667 /nfs/dbraw/zinc/57/46/67/509574667.db2.gz HSYAABSXGQPUCU-IKGGRYGDSA-N 1 2 366.527 2.928 10 0 FFAELO COc1ccccc1C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176565166 509586323 /nfs/dbraw/zinc/58/63/23/509586323.db2.gz JEVFAVYXMARTSH-INIZCTEOSA-N 1 2 360.479 2.868 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3c(cccc3F)[nH]2)nc[nH+]1 ZINC000173421198 509588493 /nfs/dbraw/zinc/58/84/93/509588493.db2.gz CKXMPBCYMYDMAF-GFCCVEGCSA-N 1 2 368.416 2.538 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3c(cccc3F)[nH]2)[nH+]cn1 ZINC000173421198 509588498 /nfs/dbraw/zinc/58/84/98/509588498.db2.gz CKXMPBCYMYDMAF-GFCCVEGCSA-N 1 2 368.416 2.538 10 0 FFAELO Cc1ccc([C@H](CNC(=O)[C@@H](C)OCCC(C)C)[NH+]2CCOCC2)s1 ZINC000176574794 509591432 /nfs/dbraw/zinc/59/14/32/509591432.db2.gz QUUYOIDPZPPUNK-SJORKVTESA-N 1 2 368.543 2.997 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@H]1c1ccc(F)c(F)c1 ZINC000249071490 509591823 /nfs/dbraw/zinc/59/18/23/509591823.db2.gz JUDHWAOUTHWICU-QFBILLFUSA-N 1 2 371.387 2.635 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@H]1c1ccc(F)c(F)c1 ZINC000249071490 509591830 /nfs/dbraw/zinc/59/18/30/509591830.db2.gz JUDHWAOUTHWICU-QFBILLFUSA-N 1 2 371.387 2.635 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2coc3ccccc23)nc[nH+]1 ZINC000173428427 509593214 /nfs/dbraw/zinc/59/32/14/509593214.db2.gz MNPSSVKYXJDVCD-ZDUSSCGKSA-N 1 2 351.410 2.663 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2coc3ccccc23)[nH+]cn1 ZINC000173428427 509593220 /nfs/dbraw/zinc/59/32/20/509593220.db2.gz MNPSSVKYXJDVCD-ZDUSSCGKSA-N 1 2 351.410 2.663 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)n(C(C)C)c2C)nc[nH+]1 ZINC000173434947 509596948 /nfs/dbraw/zinc/59/69/48/509596948.db2.gz AWXZJSTUKLAAIC-MRXNPFEDSA-N 1 2 370.501 2.916 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)n(C(C)C)c2C)[nH+]cn1 ZINC000173434947 509596951 /nfs/dbraw/zinc/59/69/51/509596951.db2.gz AWXZJSTUKLAAIC-MRXNPFEDSA-N 1 2 370.501 2.916 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)Nc2nc3ccccn3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000249091449 509599474 /nfs/dbraw/zinc/59/94/74/509599474.db2.gz UUCUYZSUSLSNJX-GOEBONIOSA-N 1 2 372.379 2.574 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)Nc2nc3ccccn3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000249091449 509599481 /nfs/dbraw/zinc/59/94/81/509599481.db2.gz UUCUYZSUSLSNJX-GOEBONIOSA-N 1 2 372.379 2.574 10 0 FFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000167847499 509642421 /nfs/dbraw/zinc/64/24/21/509642421.db2.gz UZNKJICJGNGNSH-IUODEOHRSA-N 1 2 357.458 2.993 10 0 FFAELO O=C1[C@H]([N@@H+]2CCN3CCCC[C@H]3C2)CCCN1Cc1ccc(F)cc1F ZINC000249279124 509645570 /nfs/dbraw/zinc/64/55/70/509645570.db2.gz KLGJPKIUBJKUIS-PKOBYXMFSA-N 1 2 363.452 2.626 10 0 FFAELO O=C1[C@H]([N@H+]2CCN3CCCC[C@H]3C2)CCCN1Cc1ccc(F)cc1F ZINC000249279124 509645577 /nfs/dbraw/zinc/64/55/77/509645577.db2.gz KLGJPKIUBJKUIS-PKOBYXMFSA-N 1 2 363.452 2.626 10 0 FFAELO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCCNC1=O ZINC000192788571 509645822 /nfs/dbraw/zinc/64/58/22/509645822.db2.gz BFDCQIZSFMKOKU-ZDUSSCGKSA-N 1 2 358.269 2.923 10 0 FFAELO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCCNC1=O ZINC000192788571 509645828 /nfs/dbraw/zinc/64/58/28/509645828.db2.gz BFDCQIZSFMKOKU-ZDUSSCGKSA-N 1 2 358.269 2.923 10 0 FFAELO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173623285 509680616 /nfs/dbraw/zinc/68/06/16/509680616.db2.gz JASXACATMVBDSR-HOTGVXAUSA-N 1 2 355.486 2.621 10 0 FFAELO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1)C[C@H](O)C(F)(F)F ZINC000249481370 509690585 /nfs/dbraw/zinc/69/05/85/509690585.db2.gz VPJHOKNTRPCHRC-HOTGVXAUSA-N 1 2 374.403 2.604 10 0 FFAELO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1)C[C@H](O)C(F)(F)F ZINC000249481370 509690593 /nfs/dbraw/zinc/69/05/93/509690593.db2.gz VPJHOKNTRPCHRC-HOTGVXAUSA-N 1 2 374.403 2.604 10 0 FFAELO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173655452 509701689 /nfs/dbraw/zinc/70/16/89/509701689.db2.gz FGIMMYZVNTWCPD-GFCCVEGCSA-N 1 2 370.359 2.966 10 0 FFAELO CCc1noc2ncc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)cc12 ZINC000186426339 509702569 /nfs/dbraw/zinc/70/25/69/509702569.db2.gz XRASDUBXLMMLIZ-UHFFFAOYSA-N 1 2 351.410 2.533 10 0 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ZINC000114032517 508290937 /nfs/dbraw/zinc/29/09/37/508290937.db2.gz YCMURZNWVWEIOF-OAHLLOKOSA-N 1 2 374.510 2.746 10 0 FFAELO COC[C@@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000103406457 508310290 /nfs/dbraw/zinc/31/02/90/508310290.db2.gz NNQWRGYAFLRSGP-RHSMWYFYSA-N 1 2 368.905 2.891 10 0 FFAELO COC[C@@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000103406457 508310291 /nfs/dbraw/zinc/31/02/91/508310291.db2.gz NNQWRGYAFLRSGP-RHSMWYFYSA-N 1 2 368.905 2.891 10 0 FFAELO C[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2cc(=O)n3nccc3[nH]2)CC1 ZINC000104098352 508328319 /nfs/dbraw/zinc/32/83/19/508328319.db2.gz CGRUAKRCOGUGAQ-AWEZNQCLSA-N 1 2 371.872 2.555 10 0 FFAELO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000114585291 508328404 /nfs/dbraw/zinc/32/84/04/508328404.db2.gz UOWYNLAZPCHHDO-KRWDZBQOSA-N 1 2 366.469 2.774 10 0 FFAELO CC(=O)N(c1nc(C[NH+]2CCC(c3ccnn3C)CC2)cs1)C1CC1 ZINC000114717149 508340943 /nfs/dbraw/zinc/34/09/43/508340943.db2.gz PPTFVIKKLXKYRF-UHFFFAOYSA-N 1 2 359.499 2.772 10 0 FFAELO COc1ccccc1CC[N@H+](C)Cc1nnnn1-c1c(C)cccc1C ZINC000104711315 508342997 /nfs/dbraw/zinc/34/29/97/508342997.db2.gz SPCYXJRNKFHCHE-UHFFFAOYSA-N 1 2 351.454 2.962 10 0 FFAELO COc1ccccc1CC[N@@H+](C)Cc1nnnn1-c1c(C)cccc1C ZINC000104711315 508343000 /nfs/dbraw/zinc/34/30/00/508343000.db2.gz SPCYXJRNKFHCHE-UHFFFAOYSA-N 1 2 351.454 2.962 10 0 FFAELO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1c(Cl)ccc(F)c1Cl ZINC000104788205 508347039 /nfs/dbraw/zinc/34/70/39/508347039.db2.gz ZRYSPQDMKYHZIT-NXEZZACHSA-N 1 2 364.248 2.823 10 0 FFAELO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1c(Cl)ccc(F)c1Cl ZINC000104788205 508347040 /nfs/dbraw/zinc/34/70/40/508347040.db2.gz ZRYSPQDMKYHZIT-NXEZZACHSA-N 1 2 364.248 2.823 10 0 FFAELO C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1c(Cl)cccc1Cl ZINC000104798209 508347418 /nfs/dbraw/zinc/34/74/18/508347418.db2.gz PVKFFMYVQUKXLL-NEPJUHHUSA-N 1 2 360.285 2.727 10 0 FFAELO C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1c(Cl)cccc1Cl ZINC000104798209 508347422 /nfs/dbraw/zinc/34/74/22/508347422.db2.gz PVKFFMYVQUKXLL-NEPJUHHUSA-N 1 2 360.285 2.727 10 0 FFAELO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C=O)cc3)C2)cc(OC)c1 ZINC000088252026 508361777 /nfs/dbraw/zinc/36/17/77/508361777.db2.gz ZQHMMDJHDQJJGQ-SFHVURJKSA-N 1 2 368.433 2.521 10 0 FFAELO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C=O)cc3)C2)cc(OC)c1 ZINC000088252026 508361778 /nfs/dbraw/zinc/36/17/78/508361778.db2.gz ZQHMMDJHDQJJGQ-SFHVURJKSA-N 1 2 368.433 2.521 10 0 FFAELO O=C(C[C@H](c1ccccc1)C(F)(F)F)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164671 508373607 /nfs/dbraw/zinc/37/36/07/508373607.db2.gz OVJIDMFPWYHEPE-JKSUJKDBSA-N 1 2 356.388 2.702 10 0 FFAELO O=C(C[C@H](c1ccccc1)C(F)(F)F)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000115164671 508373610 /nfs/dbraw/zinc/37/36/10/508373610.db2.gz OVJIDMFPWYHEPE-JKSUJKDBSA-N 1 2 356.388 2.702 10 0 FFAELO COc1ccsc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000105950521 508385624 /nfs/dbraw/zinc/38/56/24/508385624.db2.gz 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CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000106373952 508400008 /nfs/dbraw/zinc/40/00/08/508400008.db2.gz OKUHCVFJHKKYNR-CYBMUJFWSA-N 1 2 372.435 2.703 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC000106373820 508400062 /nfs/dbraw/zinc/40/00/62/508400062.db2.gz QFMRRDNYBDFIGA-OAHLLOKOSA-N 1 2 363.889 2.995 10 0 FFAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC000106373820 508400063 /nfs/dbraw/zinc/40/00/63/508400063.db2.gz QFMRRDNYBDFIGA-OAHLLOKOSA-N 1 2 363.889 2.995 10 0 FFAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC000106373820 508400064 /nfs/dbraw/zinc/40/00/64/508400064.db2.gz QFMRRDNYBDFIGA-OAHLLOKOSA-N 1 2 363.889 2.995 10 0 FFAELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 ZINC000106396219 508400147 /nfs/dbraw/zinc/40/01/47/508400147.db2.gz WZAHJUGMLNXJRP-OAHLLOKOSA-N 1 2 363.845 2.524 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000115752416 508433867 /nfs/dbraw/zinc/43/38/67/508433867.db2.gz VQGIEVIHZXNPJZ-UHFFFAOYSA-N 1 2 363.412 2.665 10 0 FFAELO Cc1ccccc1-c1nc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)no1 ZINC000127381699 508441193 /nfs/dbraw/zinc/44/11/93/508441193.db2.gz KOFWGBMAFAZJCP-MRXNPFEDSA-N 1 2 364.453 2.936 10 0 FFAELO Cc1ccccc1-c1nc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)no1 ZINC000127381699 508441195 /nfs/dbraw/zinc/44/11/95/508441195.db2.gz KOFWGBMAFAZJCP-MRXNPFEDSA-N 1 2 364.453 2.936 10 0 FFAELO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000127392210 508443515 /nfs/dbraw/zinc/44/35/15/508443515.db2.gz VLOXHBRPJVZAPN-MRXNPFEDSA-N 1 2 363.469 2.719 10 0 FFAELO Cc1cncc(/C=C/C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000152460615 508451048 /nfs/dbraw/zinc/45/10/48/508451048.db2.gz MOAUJXGHRJFYGN-DUMMIQTOSA-N 1 2 371.506 2.997 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)CSc2nccc3ccccc32)C[C@@H]1C ZINC000152468289 508452297 /nfs/dbraw/zinc/45/22/97/508452297.db2.gz SESSIKLBEWFROX-INIZCTEOSA-N 1 2 373.522 2.896 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)CSc2nccc3ccccc32)C[C@@H]1C ZINC000152468289 508452302 /nfs/dbraw/zinc/45/23/02/508452302.db2.gz SESSIKLBEWFROX-INIZCTEOSA-N 1 2 373.522 2.896 10 0 FFAELO CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000127494929 508458369 /nfs/dbraw/zinc/45/83/69/508458369.db2.gz CIXHQUBIMAMNQR-IEBWSBKVSA-N 1 2 357.498 2.816 10 0 FFAELO CCn1cc[nH+]c1CS(=O)(=O)c1nnc(C)n1[C@@H]1CCC[C@H](C)C1 ZINC000134001151 508479713 /nfs/dbraw/zinc/47/97/13/508479713.db2.gz VHJWFJKYVWCKPG-GXTWGEPZSA-N 1 2 351.476 2.528 10 0 FFAELO CCn1c2nnc(C[N@@H+]3CCC[C@H]3c3ccco3)n2c2ccccc2c1=O ZINC000116294040 508495871 /nfs/dbraw/zinc/49/58/71/508495871.db2.gz MCQISUHTVGXWDY-INIZCTEOSA-N 1 2 363.421 2.994 10 0 FFAELO CCn1c2nnc(C[N@H+]3CCC[C@H]3c3ccco3)n2c2ccccc2c1=O ZINC000116294040 508495873 /nfs/dbraw/zinc/49/58/73/508495873.db2.gz MCQISUHTVGXWDY-INIZCTEOSA-N 1 2 363.421 2.994 10 0 FFAELO O=C(NC1CCN(c2ccccc2)CC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000152699306 508496954 /nfs/dbraw/zinc/49/69/54/508496954.db2.gz JXUJNGRJPSHZLK-FQEVSTJZSA-N 1 2 366.465 2.913 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCc3ccc(C)cc3)CC2)s1 ZINC000116555758 508529162 /nfs/dbraw/zinc/52/91/62/508529162.db2.gz FJSGZMZWPUZGAS-UHFFFAOYSA-N 1 2 358.511 2.830 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2nc(-c3ccco3)sc2C)C[C@H]1C ZINC000117280849 508588118 /nfs/dbraw/zinc/58/81/18/508588118.db2.gz GSUOYOGUQSAYTI-CYBMUJFWSA-N 1 2 363.483 2.894 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2nc(-c3ccco3)sc2C)C[C@H]1C ZINC000117280849 508588122 /nfs/dbraw/zinc/58/81/22/508588122.db2.gz GSUOYOGUQSAYTI-CYBMUJFWSA-N 1 2 363.483 2.894 10 0 FFAELO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)s1 ZINC000122807971 508589884 /nfs/dbraw/zinc/58/98/84/508589884.db2.gz SKDIDFZZRVIQPA-YOEHRIQHSA-N 1 2 351.516 2.705 10 0 FFAELO Cc1ccc(C)c(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000117310456 508592695 /nfs/dbraw/zinc/59/26/95/508592695.db2.gz UBFGVDYIUBFZAP-LJQANCHMSA-N 1 2 368.477 2.501 10 0 FFAELO COC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000117880287 508622452 /nfs/dbraw/zinc/62/24/52/508622452.db2.gz OWIJEIPBKBLWHI-IBGZPJMESA-N 1 2 370.497 2.670 10 0 FFAELO CC[C@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)CC[N@@H+]1CCOC ZINC000119050827 508714325 /nfs/dbraw/zinc/71/43/25/508714325.db2.gz CSULPXSXNSVWCK-KRWDZBQOSA-N 1 2 373.522 2.917 10 0 FFAELO CC[C@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)CC[N@H+]1CCOC ZINC000119050827 508714328 /nfs/dbraw/zinc/71/43/28/508714328.db2.gz CSULPXSXNSVWCK-KRWDZBQOSA-N 1 2 373.522 2.917 10 0 FFAELO CCn1cc(C[NH+]2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cn1 ZINC000123631183 508718155 /nfs/dbraw/zinc/71/81/55/508718155.db2.gz KKFPHFDHEZFLAR-UHFFFAOYSA-N 1 2 351.454 2.876 10 0 FFAELO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000136942986 508726292 /nfs/dbraw/zinc/72/62/92/508726292.db2.gz JTMUHWQXKMTVSH-LJQANCHMSA-N 1 2 373.453 2.531 10 0 FFAELO CCCCc1nnc(NC(=O)CN2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000136956454 508727617 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510853993 /nfs/dbraw/zinc/85/39/93/510853993.db2.gz YCPCMIDFFPKEBQ-CHWSQXEVSA-N 1 2 372.296 2.727 10 0 FFAELO CC(C)c1cccc(O[C@@H](C)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000247245747 510854069 /nfs/dbraw/zinc/85/40/69/510854069.db2.gz YIENNNDUXQNQEF-FUHIMQAGSA-N 1 2 360.498 2.756 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+]([C@@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)c1 ZINC000247563142 510865699 /nfs/dbraw/zinc/86/56/99/510865699.db2.gz GGRASVRHNSIDMF-ZWKOTPCHSA-N 1 2 356.470 2.536 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+]([C@@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)c1 ZINC000247563142 510865700 /nfs/dbraw/zinc/86/57/00/510865700.db2.gz GGRASVRHNSIDMF-ZWKOTPCHSA-N 1 2 356.470 2.536 10 0 FFAELO Cn1nnc2cc(C(=O)N3CCC[C@H]3c3[nH+]c4c(n3C)CCCC4)ccc21 ZINC000279286373 511031199 /nfs/dbraw/zinc/03/11/99/511031199.db2.gz YDUJDURXRVHJCM-SFHVURJKSA-N 1 2 364.453 2.558 10 0 FFAELO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332759690 511101399 /nfs/dbraw/zinc/10/13/99/511101399.db2.gz 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FFAELO O=C(CSc1ccccc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000109645185 728528252 /nfs/dbraw/zinc/52/82/52/728528252.db2.gz FANJAPDKWGAHAY-LJQANCHMSA-N 1 2 356.491 2.657 10 0 FFAELO C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(Br)cc1O ZINC000185115540 729341893 /nfs/dbraw/zinc/34/18/93/729341893.db2.gz DYUGZSAVVDSINR-JSGCOSHPSA-N 1 2 357.292 2.652 10 0 FFAELO Cc1nc(NC(=O)[C@@H]2COCC[NH2+]2)sc1Cc1cccc(Cl)c1 ZINC000195249123 729533706 /nfs/dbraw/zinc/53/37/06/729533706.db2.gz VAXHAKHTEIPRJK-ZDUSSCGKSA-N 1 2 351.859 2.623 10 0 FFAELO Cc1noc2ncnc(NC[C@H](c3cccs3)[N@H+]3CCO[C@@H](C)C3)c12 ZINC000248727959 729609781 /nfs/dbraw/zinc/60/97/81/729609781.db2.gz IOGSVWBMTGUKGV-WCQYABFASA-N 1 2 359.455 2.862 10 0 FFAELO Cc1noc2ncnc(NC[C@H](c3cccs3)[N@@H+]3CCO[C@@H](C)C3)c12 ZINC000248727959 729609784 /nfs/dbraw/zinc/60/97/84/729609784.db2.gz IOGSVWBMTGUKGV-WCQYABFASA-N 1 2 359.455 2.862 10 0 FFAELO CCc1csc([C@@H]2CCC[N@H+](CN3C(=O)N[C@H](CC(C)C)C3=O)C2)n1 ZINC000249887063 729622047 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2.753 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CCCC[C@@H]2C)CC1 ZINC000172143492 996163545 /nfs/dbraw/zinc/16/35/45/996163545.db2.gz MAQACCKWTMKOGT-MAUKXSAKSA-N 1 2 361.534 2.690 10 0 FFAELO O=C(NC1CC1)c1noc([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000328648423 210124189 /nfs/dbraw/zinc/12/41/89/210124189.db2.gz UNCHEIJLWSIOBA-MRXNPFEDSA-N 1 2 351.410 2.780 10 0 FFAELO O=C(NC1CC1)c1noc([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000328648423 210124191 /nfs/dbraw/zinc/12/41/91/210124191.db2.gz UNCHEIJLWSIOBA-MRXNPFEDSA-N 1 2 351.410 2.780 10 0 FFAELO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000103473185 250152527 /nfs/dbraw/zinc/15/25/27/250152527.db2.gz IZOOISGCYLTOJI-MRXNPFEDSA-N 1 2 361.467 2.862 10 0 FFAELO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000103473185 250152533 /nfs/dbraw/zinc/15/25/33/250152533.db2.gz IZOOISGCYLTOJI-MRXNPFEDSA-N 1 2 361.467 2.862 10 0 FFAELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000103476017 250154557 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Cc1cnn([C@H]2CCC[N@H+](Cc3nnnn3-c3c(C)cccc3C)C2)c1 ZINC000106219942 250259475 /nfs/dbraw/zinc/25/94/75/250259475.db2.gz ISBMPHOHSDUNEZ-KRWDZBQOSA-N 1 2 351.458 2.621 10 0 FFAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3nnnn3-c3c(C)cccc3C)C2)c1 ZINC000106219942 250259478 /nfs/dbraw/zinc/25/94/78/250259478.db2.gz ISBMPHOHSDUNEZ-KRWDZBQOSA-N 1 2 351.458 2.621 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)NCc1ccccc1F)C2 ZINC000106370224 250264934 /nfs/dbraw/zinc/26/49/34/250264934.db2.gz KDFFFCFQPDVHSU-CQSZACIVSA-N 1 2 358.461 2.746 10 0 FFAELO C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000117745199 250358143 /nfs/dbraw/zinc/35/81/43/250358143.db2.gz KOGVYRIGWNPTSB-IIBYNOLFSA-N 1 2 366.461 2.700 10 0 FFAELO CCn1nccc1/C=C/C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000119601970 250491560 /nfs/dbraw/zinc/49/15/60/250491560.db2.gz GJUIJCGUSDUYQJ-LKGOPFMKSA-N 1 2 353.401 2.695 10 0 FFAELO C[C@H]1C[C@H](C)CN(C2=[NH+][C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2)C1 ZINC000002325420 210391722 /nfs/dbraw/zinc/39/17/22/210391722.db2.gz YXHHDUQDPWHDTG-SLEUVZQESA-N 1 2 362.861 2.501 10 0 FFAELO CCc1ccc(CNC(=O)Cn2ncc3c2nc[nH+]c3N(CC)CC)cc1 ZINC000065296005 221197446 /nfs/dbraw/zinc/19/74/46/221197446.db2.gz NRWTWMLFHKSMNC-UHFFFAOYSA-N 1 2 366.469 2.551 10 0 FFAELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)[C@@H]1COc3ccccc3O1)CCCC2 ZINC000279099386 256381536 /nfs/dbraw/zinc/38/15/36/256381536.db2.gz AJIPIFIFUJINDH-LPHOPBHVSA-N 1 2 367.449 2.802 10 0 FFAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)C[C@@H]21 ZINC000285981522 257014562 /nfs/dbraw/zinc/01/45/62/257014562.db2.gz XTEVJGNIILUIAK-WMZOPIPTSA-N 1 2 363.433 2.694 10 0 FFAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)C[C@@H]21 ZINC000285981522 257014563 /nfs/dbraw/zinc/01/45/63/257014563.db2.gz XTEVJGNIILUIAK-WMZOPIPTSA-N 1 2 363.433 2.694 10 0 FFAELO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000286018037 257016325 /nfs/dbraw/zinc/01/63/25/257016325.db2.gz CJZNQLSVUMHKPB-KGLIPLIRSA-N 1 2 374.268 2.939 10 0 FFAELO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000286018037 257016326 /nfs/dbraw/zinc/01/63/26/257016326.db2.gz CJZNQLSVUMHKPB-KGLIPLIRSA-N 1 2 374.268 2.939 10 0 FFAELO Cc1cccc(OC[C@@H](O)CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)c1 ZINC000301258411 258038019 /nfs/dbraw/zinc/03/80/19/258038019.db2.gz UMHAOCBVURCSKV-SJORKVTESA-N 1 2 356.470 2.873 10 0 FFAELO Cc1cccc(OC[C@@H](O)CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)c1 ZINC000301258411 258038022 /nfs/dbraw/zinc/03/80/22/258038022.db2.gz UMHAOCBVURCSKV-SJORKVTESA-N 1 2 356.470 2.873 10 0 FFAELO CC(C)c1noc2ncc(C(=O)N3CC[NH2+][C@H](c4cccnc4)C3)cc21 ZINC000328719632 258118908 /nfs/dbraw/zinc/11/89/08/258118908.db2.gz QGHCMYWBGSJLOL-INIZCTEOSA-N 1 2 351.410 2.528 10 0 FFAELO Clc1ccc(Cc2nnc(N3CC[C@@H]([NH+]4CCOCC4)C3)s2)cc1 ZINC000302494635 258104005 /nfs/dbraw/zinc/10/40/05/258104005.db2.gz JNEDFVMSVJLASE-OAHLLOKOSA-N 1 2 364.902 2.693 10 0 FFAELO CS(=O)(=O)c1cccnc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000302723454 258109169 /nfs/dbraw/zinc/10/91/69/258109169.db2.gz IONWQVGOEHWZPG-KRWDZBQOSA-N 1 2 359.495 2.952 10 0 FFAELO CS(=O)(=O)c1cccnc1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000302723454 258109170 /nfs/dbraw/zinc/10/91/70/258109170.db2.gz IONWQVGOEHWZPG-KRWDZBQOSA-N 1 2 359.495 2.952 10 0 FFAELO CCOC(=O)[C@@]1(C(C)C)CCN(c2nc(NC)c(Br)c[nH+]2)C1 ZINC000302823545 258111754 /nfs/dbraw/zinc/11/17/54/258111754.db2.gz LGOYVCXVXVAUQH-HNNXBMFYSA-N 1 2 371.279 2.696 10 0 FFAELO Cc1c(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000328644687 258116673 /nfs/dbraw/zinc/11/66/73/258116673.db2.gz GCGWTCATIZGVOO-INIZCTEOSA-N 1 2 366.465 2.660 10 0 FFAELO C[C@@H]1Oc2c(cccc2C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)NC1=O ZINC000328657809 258116874 /nfs/dbraw/zinc/11/68/74/258116874.db2.gz PVIBCXLCACFDIW-SJCJKPOMSA-N 1 2 369.396 2.981 10 0 FFAELO Cn1cc2c(n1)CCC[C@H]2C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328662992 258117393 /nfs/dbraw/zinc/11/73/93/258117393.db2.gz AZWNAQMZRPCHPB-CRAIPNDOSA-N 1 2 358.873 2.667 10 0 FFAELO CC(C)COc1cncc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000301619838 258059223 /nfs/dbraw/zinc/05/92/23/258059223.db2.gz DOZQQUPTYKHKDV-RBUKOAKNSA-N 1 2 368.481 2.601 10 0 FFAELO CC(C)COc1cncc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000301619838 258059224 /nfs/dbraw/zinc/05/92/24/258059224.db2.gz DOZQQUPTYKHKDV-RBUKOAKNSA-N 1 2 368.481 2.601 10 0 FFAELO Fc1cc2nc(NC[C@H]3C[NH+]4CCN3CC4)ccc2cc1Br ZINC000301789184 258067588 /nfs/dbraw/zinc/06/75/88/258067588.db2.gz QPXDZUZSYPGOCV-LBPRGKRZSA-N 1 2 365.250 2.548 10 0 FFAELO Fc1cc2nc(NC[C@H]3CN4CC[NH+]3CC4)ccc2cc1Br ZINC000301789184 258067589 /nfs/dbraw/zinc/06/75/89/258067589.db2.gz QPXDZUZSYPGOCV-LBPRGKRZSA-N 1 2 365.250 2.548 10 0 FFAELO O=C(c1ccc2c(c1)OCCO2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328688504 258118242 /nfs/dbraw/zinc/11/82/42/258118242.db2.gz PZWCQKMWYCARCD-MRXNPFEDSA-N 1 2 358.825 2.898 10 0 FFAELO O=S(=O)(c1csc(-c2ccccc2)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000328767227 258120143 /nfs/dbraw/zinc/12/01/43/258120143.db2.gz FQADMYPJRDYYSO-HNNXBMFYSA-N 1 2 363.508 2.669 10 0 FFAELO O=S(=O)(c1csc(-c2ccccc2)n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000328767227 258120144 /nfs/dbraw/zinc/12/01/44/258120144.db2.gz FQADMYPJRDYYSO-HNNXBMFYSA-N 1 2 363.508 2.669 10 0 FFAELO CN(C[C@H]1CCCN1c1cccnn1)c1nc(C2CC2)[nH+]c2c1CCC2 ZINC000328825130 258121778 /nfs/dbraw/zinc/12/17/78/258121778.db2.gz IWZUYADXUDLNOC-OAHLLOKOSA-N 1 2 350.470 2.738 10 0 FFAELO Cc1nc(C)n(C[C@H]2CCCN(c3nc(C4CC4)[nH+]c4c3CCC4)C2)n1 ZINC000328834997 258121885 /nfs/dbraw/zinc/12/18/85/258121885.db2.gz MDPLBRCCTVCIGV-HNNXBMFYSA-N 1 2 352.486 2.968 10 0 FFAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000328988629 258126125 /nfs/dbraw/zinc/12/61/25/258126125.db2.gz RQKYCPOYHMEDJA-FVVUREQNSA-N 1 2 357.498 2.696 10 0 FFAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3Nc3ccccc3F)C[C@@H]21 ZINC000329001242 258126544 /nfs/dbraw/zinc/12/65/44/258126544.db2.gz VWDUVMAFIJFLQC-ZWKOTPCHSA-N 1 2 370.428 2.509 10 0 FFAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3Nc3ccccc3F)C[C@@H]21 ZINC000329001242 258126545 /nfs/dbraw/zinc/12/65/45/258126545.db2.gz VWDUVMAFIJFLQC-ZWKOTPCHSA-N 1 2 370.428 2.509 10 0 FFAELO Cc1ccn(-c2ccc(NC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)cc2)n1 ZINC000329105326 258129630 /nfs/dbraw/zinc/12/96/30/258129630.db2.gz CXLFSXCXXACWJI-LJQANCHMSA-N 1 2 354.454 2.620 10 0 FFAELO Cc1ccn(-c2ccc(NC(=O)[C@H]3COCC[N@H+]3CC3CCC3)cc2)n1 ZINC000329105326 258129631 /nfs/dbraw/zinc/12/96/31/258129631.db2.gz CXLFSXCXXACWJI-LJQANCHMSA-N 1 2 354.454 2.620 10 0 FFAELO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000329196409 258132132 /nfs/dbraw/zinc/13/21/32/258132132.db2.gz UTNHTCJQWPHTBH-HZPDHXFCSA-N 1 2 372.494 2.527 10 0 FFAELO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000329352355 258136338 /nfs/dbraw/zinc/13/63/38/258136338.db2.gz UMHMJYUNTWYXRA-OAQYLSRUSA-N 1 2 371.481 2.921 10 0 FFAELO Cc1cc(C)n([C@H](C)CC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)n1 ZINC000329411736 258137810 /nfs/dbraw/zinc/13/78/10/258137810.db2.gz CDKGZWOAKQAXPX-OAHLLOKOSA-N 1 2 361.515 2.560 10 0 FFAELO Cc1cccc(C2(C(=O)N3CCN(Cc4[nH]cc[nH+]4)CC3)CCCC2)c1 ZINC000329534755 258141292 /nfs/dbraw/zinc/14/12/92/258141292.db2.gz KZVVVFJHDRNZOW-UHFFFAOYSA-N 1 2 352.482 2.874 10 0 FFAELO O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329568029 258142085 /nfs/dbraw/zinc/14/20/85/258142085.db2.gz LLCKFGLBJBPLNG-QWHCGFSZSA-N 1 2 362.836 2.650 10 0 FFAELO CC[C@@H]1CN(C(=O)c2cn(C)nc2C2CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000329744101 258146286 /nfs/dbraw/zinc/14/62/86/258146286.db2.gz QMXBAMOMXOBCBV-VQIMIIECSA-N 1 2 374.529 2.651 10 0 FFAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCO[C@H](c3cccs3)C1)CCC2 ZINC000332687063 258240320 /nfs/dbraw/zinc/24/03/20/258240320.db2.gz OBSKDLGAZTTZHI-CABCVRRESA-N 1 2 360.483 2.914 10 0 FFAELO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n3cc[nH+]c3)C1)CCC2 ZINC000332703712 258240767 /nfs/dbraw/zinc/24/07/67/258240767.db2.gz FHACNFAEOOXJCL-PVAVHDDUSA-N 1 2 356.474 2.558 10 0 FFAELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)CCC2 ZINC000332800762 258242171 /nfs/dbraw/zinc/24/21/71/258242171.db2.gz WSFQLHFVQIRVSD-RYQLBKOJSA-N 1 2 372.444 2.726 10 0 FFAELO CCc1ccc(Nc2[nH+]cnc(N3CCC(C(=O)OC)CC3)c2N)cc1 ZINC000040688574 136119786 /nfs/dbraw/zinc/11/97/86/136119786.db2.gz BQWLIAKGNKSXRI-UHFFFAOYSA-N 1 2 355.442 2.754 10 0 FFAELO Nc1c(N2CCN(c3ccccc3F)CC2)nc[nH+]c1N1CCCCCC1 ZINC000040725662 136119974 /nfs/dbraw/zinc/11/99/74/136119974.db2.gz PNSJKULHBAFWRM-UHFFFAOYSA-N 1 2 370.476 2.905 10 0 FFAELO Nc1c(N2CCCCCC2)nc[nH+]c1N1CCN(c2ccccc2F)CC1 ZINC000040725662 136119975 /nfs/dbraw/zinc/11/99/75/136119975.db2.gz PNSJKULHBAFWRM-UHFFFAOYSA-N 1 2 370.476 2.905 10 0 FFAELO C[C@]([NH3+])(C#N)COc1cccc(O[C@@H]2CCCCO2)c1Br ZINC000222304714 509313404 /nfs/dbraw/zinc/31/34/04/509313404.db2.gz ADLMLIXONHWINX-HIFRSBDPSA-N 1 2 355.232 2.974 10 0 FFAELO Nc1ncncc1-c1noc([C@@H]2CCC[N@@H+]2Cc2cnc3ccccc3c2)n1 ZINC000035425983 506383222 /nfs/dbraw/zinc/38/32/22/506383222.db2.gz ZVEVTQYQESYVCS-KRWDZBQOSA-N 1 2 373.420 2.994 10 0 FFAELO Nc1ncncc1-c1noc([C@@H]2CCC[N@H+]2Cc2cnc3ccccc3c2)n1 ZINC000035425983 506383233 /nfs/dbraw/zinc/38/32/33/506383233.db2.gz ZVEVTQYQESYVCS-KRWDZBQOSA-N 1 2 373.420 2.994 10 0 FFAELO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000042242486 506611631 /nfs/dbraw/zinc/61/16/31/506611631.db2.gz NBFYFDNAWSSGPC-MCIONIFRSA-N 1 2 369.303 2.905 10 0 FFAELO O=C1[C@H]([N@H+](CCO)Cc2cccnc2)CCN1[C@H]1CCCc2ccccc21 ZINC000375372858 512290852 /nfs/dbraw/zinc/29/08/52/512290852.db2.gz GWBOOVIJQMBCJS-LEWJYISDSA-N 1 2 365.477 2.554 10 0 FFAELO O=C1[C@H]([N@@H+](CCO)Cc2cccnc2)CCN1[C@H]1CCCc2ccccc21 ZINC000375372858 512290853 /nfs/dbraw/zinc/29/08/53/512290853.db2.gz GWBOOVIJQMBCJS-LEWJYISDSA-N 1 2 365.477 2.554 10 0 FFAELO O=S1(=O)N=C(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000067529322 506911796 /nfs/dbraw/zinc/91/17/96/506911796.db2.gz QBUDGYXYQSVRLX-KRWDZBQOSA-N 1 2 369.490 2.780 10 0 FFAELO O=S1(=O)N=C(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000067529322 506911803 /nfs/dbraw/zinc/91/18/03/506911803.db2.gz QBUDGYXYQSVRLX-KRWDZBQOSA-N 1 2 369.490 2.780 10 0 FFAELO C[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1ccc2c(c1)OCCO2 ZINC000045610704 506990357 /nfs/dbraw/zinc/99/03/57/506990357.db2.gz MJZWRJLOKXIEGE-AWEZNQCLSA-N 1 2 366.421 2.708 10 0 FFAELO O=C(CN1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@@H]1c1cccs1 ZINC000025762604 507530412 /nfs/dbraw/zinc/53/04/12/507530412.db2.gz KNTHSKWTWGJHFO-GOSISDBHSA-N 1 2 370.522 2.624 10 0 FFAELO Cc1cc(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n(-c2ccc(F)cc2)n1 ZINC000070693739 507621158 /nfs/dbraw/zinc/62/11/58/507621158.db2.gz GWFZRPGKCZDZSO-ROUUACIJSA-N 1 2 372.444 2.902 10 0 FFAELO Cc1cc(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)n(-c2ccc(F)cc2)n1 ZINC000070693739 507621165 /nfs/dbraw/zinc/62/11/65/507621165.db2.gz GWFZRPGKCZDZSO-ROUUACIJSA-N 1 2 372.444 2.902 10 0 FFAELO Cc1cc(C[N@H+](C)C[C@@H](O)COc2cccc(Br)c2)no1 ZINC000051739322 507782822 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C[C@H](CNC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C)[NH+]1CCOCC1 ZINC000123045651 508627661 /nfs/dbraw/zinc/62/76/61/508627661.db2.gz ZWTWCZFMSOLPLL-MRXNPFEDSA-N 1 2 370.497 2.620 10 0 FFAELO CC1(CC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCCCC1 ZINC000129611404 508746215 /nfs/dbraw/zinc/74/62/15/508746215.db2.gz UCKBBANDKFKWCG-IBGZPJMESA-N 1 2 374.525 2.931 10 0 FFAELO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000125177059 508943089 /nfs/dbraw/zinc/94/30/89/508943089.db2.gz NCRSWJZDZITZFH-CABCVRRESA-N 1 2 353.894 2.633 10 0 FFAELO COc1ccccc1N1CC[C@@H](N2CCc3c([nH+]c(C(C)C)n3C)C2)C1=O ZINC000151139234 508965366 /nfs/dbraw/zinc/96/53/66/508965366.db2.gz UWWTVWYYMNICKL-GOSISDBHSA-N 1 2 368.481 2.716 10 0 FFAELO O=C(NC1CCN(c2cccs2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000155820503 509076722 /nfs/dbraw/zinc/07/67/22/509076722.db2.gz GDSCUTKDYMOBGG-UHFFFAOYSA-N 1 2 359.499 2.960 10 0 FFAELO CCOc1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)cc(Cl)c1OC ZINC000120954032 509096216 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10 0 FFAELO CC(=O)c1c(F)cccc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000172756644 509217654 /nfs/dbraw/zinc/21/76/54/509217654.db2.gz DCCXSWPDZQABHR-KRWDZBQOSA-N 1 2 372.440 2.590 10 0 FFAELO C[C@@H](Sc1ccccc1Cl)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172759972 509219710 /nfs/dbraw/zinc/21/97/10/509219710.db2.gz BMHXRSUATHVOOS-ZIAGYGMSSA-N 1 2 354.903 2.754 10 0 FFAELO O=C(CSc1ccc2ccccc2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172762389 509220138 /nfs/dbraw/zinc/22/01/38/509220138.db2.gz BYMSBWQLDLGGIH-SFHVURJKSA-N 1 2 356.491 2.865 10 0 FFAELO O=C(c1ccc(C2SCCS2)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172762058 509220699 /nfs/dbraw/zinc/22/06/99/509220699.db2.gz QFHWKYUZJSQFIK-INIZCTEOSA-N 1 2 364.536 2.712 10 0 FFAELO C[C@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000191917134 509246586 /nfs/dbraw/zinc/24/65/86/509246586.db2.gz ZASYEGOLZTZZRN-GUYCJALGSA-N 1 2 368.880 2.936 10 0 FFAELO Cn1c(Cl)cnc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248572292 509372646 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2.932 10 0 FFAELO C[C@@H](CNC(=O)[C@H]1CCCn2cc[nH+]c21)c1nc(-c2ccccc2)no1 ZINC000179455829 509451936 /nfs/dbraw/zinc/45/19/36/509451936.db2.gz MUSXHCYWHDMZBR-ZFWWWQNUSA-N 1 2 351.410 2.730 10 0 FFAELO C[C@H](CNC(=O)[C@@H]1CCCn2cc[nH+]c21)c1nc(-c2ccccc2)no1 ZINC000179455818 509452026 /nfs/dbraw/zinc/45/20/26/509452026.db2.gz MUSXHCYWHDMZBR-UKRRQHHQSA-N 1 2 351.410 2.730 10 0 FFAELO Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cn2)n1 ZINC000176341395 509453292 /nfs/dbraw/zinc/45/32/92/509453292.db2.gz QZDRUHAWSQRPGL-QGZVFWFLSA-N 1 2 365.441 2.777 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179522175 509492867 /nfs/dbraw/zinc/49/28/67/509492867.db2.gz CWRIHBRIPYVAJV-UHFFFAOYSA-N 1 2 364.497 2.745 10 0 FFAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000164372829 509495958 /nfs/dbraw/zinc/49/59/58/509495958.db2.gz YNANCIARPNOPCR-OXQOHEQNSA-N 1 2 372.444 2.848 10 0 FFAELO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@@H](O)COC(C)(C)C)n1 ZINC000248831887 509503192 /nfs/dbraw/zinc/50/31/92/509503192.db2.gz YYRUMDXMUGVNTH-TZMCWYRMSA-N 1 2 356.488 2.633 10 0 FFAELO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@@H](O)COC(C)(C)C)n1 ZINC000248831887 509503201 /nfs/dbraw/zinc/50/32/01/509503201.db2.gz YYRUMDXMUGVNTH-TZMCWYRMSA-N 1 2 356.488 2.633 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccc(-n3nccn3)cc1)C2 ZINC000182957470 509516509 /nfs/dbraw/zinc/51/65/09/509516509.db2.gz GJAABQHISVACML-UHFFFAOYSA-N 1 2 365.441 2.714 10 0 FFAELO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248892408 509532743 /nfs/dbraw/zinc/53/27/43/509532743.db2.gz SHOIIIWYYQAXNQ-CZUORRHYSA-N 1 2 373.280 2.614 10 0 FFAELO Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H](O)c1ccccc1)c1cccc(F)c1 ZINC000179630549 509544385 /nfs/dbraw/zinc/54/43/85/509544385.db2.gz GXSXTWJANVXQSD-IEBWSBKVSA-N 1 2 353.397 2.889 10 0 FFAELO C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000176506681 509549916 /nfs/dbraw/zinc/54/99/16/509549916.db2.gz SGJGQFQOUXSSJH-WBVHZDCISA-N 1 2 356.422 2.865 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)[NH+]2CCOCC2)s1 ZINC000176547344 509576280 /nfs/dbraw/zinc/57/62/80/509576280.db2.gz XSHHCSUJDNAINF-QGZVFWFLSA-N 1 2 362.470 2.928 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc3ncsc3c2)nc[nH+]1 ZINC000173408341 509578971 /nfs/dbraw/zinc/57/89/71/509578971.db2.gz MCJMGGWVXPYWMT-CYBMUJFWSA-N 1 2 368.466 2.527 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc3ncsc3c2)[nH+]cn1 ZINC000173408341 509578978 /nfs/dbraw/zinc/57/89/78/509578978.db2.gz MCJMGGWVXPYWMT-CYBMUJFWSA-N 1 2 368.466 2.527 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)COc2ccc(C)cc2)[NH+]2CCOCC2)s1 ZINC000176553674 509579981 /nfs/dbraw/zinc/57/99/81/509579981.db2.gz GKMHTXGXACLAPT-GOSISDBHSA-N 1 2 374.506 2.933 10 0 FFAELO COc1ccc(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)cc1 ZINC000176557279 509581929 /nfs/dbraw/zinc/58/19/29/509581929.db2.gz GYKHMFOLFLDJRB-QGZVFWFLSA-N 1 2 360.479 2.868 10 0 FFAELO COc1ccccc1CC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176560463 509583650 /nfs/dbraw/zinc/58/36/50/509583650.db2.gz KSLWFQGZPSKXQJ-KRWDZBQOSA-N 1 2 374.506 2.797 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)c2cccs2)nc[nH+]1 ZINC000173424716 509590185 /nfs/dbraw/zinc/59/01/85/509590185.db2.gz NZONTRDOHCPHII-KBPBESRZSA-N 1 2 374.514 2.951 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)c2cccs2)[nH+]cn1 ZINC000173424716 509590191 /nfs/dbraw/zinc/59/01/91/509590191.db2.gz NZONTRDOHCPHII-KBPBESRZSA-N 1 2 374.514 2.951 10 0 FFAELO Clc1cccnc1N1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000249071999 509592099 /nfs/dbraw/zinc/59/20/99/509592099.db2.gz LDDCWTPTNCKQDG-GOEBONIOSA-N 1 2 354.845 2.811 10 0 FFAELO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(Br)cc1O ZINC000179730545 509596219 /nfs/dbraw/zinc/59/62/19/509596219.db2.gz OVDHUJZBHBCRGN-CYBMUJFWSA-N 1 2 364.243 2.964 10 0 FFAELO Cc1ccc(O)c(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c1 ZINC000176588717 509598187 /nfs/dbraw/zinc/59/81/87/509598187.db2.gz WFKVZOVTYRMIFU-ZBFHGGJFSA-N 1 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CC(=O)c1cccc(OCC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000112664514 508207111 /nfs/dbraw/zinc/20/71/11/508207111.db2.gz QWVLMOGWEKQFEU-UHFFFAOYSA-N 1 2 355.438 2.710 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@@H](C)NC(=O)c1ccccc1)C2 ZINC000112671078 508207857 /nfs/dbraw/zinc/20/78/57/508207857.db2.gz PZUSDSRFTFLYSH-OAHLLOKOSA-N 1 2 368.481 2.637 10 0 FFAELO CO[C@@H](CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1ccccc1 ZINC000112742180 508218577 /nfs/dbraw/zinc/21/85/77/508218577.db2.gz MUSLADVLXACZGK-SFHVURJKSA-N 1 2 356.470 2.999 10 0 FFAELO COc1cccc(Nc2ccccc2C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000076563790 508225040 /nfs/dbraw/zinc/22/50/40/508225040.db2.gz JIDADLGDCGVWLQ-INIZCTEOSA-N 1 2 369.465 2.889 10 0 FFAELO C[C@H](NC(=O)NCc1[nH+]ccn1CCCc1ccccc1)[C@H]1CCCO1 ZINC000083643682 508250436 /nfs/dbraw/zinc/25/04/36/508250436.db2.gz XLSNVSGOKZRWJZ-FUHWJXTLSA-N 1 2 356.470 2.883 10 0 FFAELO C[C@@H](CNC(=O)N(C)CCc1cccc2ccccc21)[NH+]1CCOCC1 ZINC000101786404 508257208 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FFAELO Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1Oc1cc[nH+]cc1 ZINC000115323522 508384891 /nfs/dbraw/zinc/38/48/91/508384891.db2.gz NBKWLSLVOAKGJG-QGZVFWFLSA-N 1 2 353.422 2.875 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000115388916 508390324 /nfs/dbraw/zinc/39/03/24/508390324.db2.gz MNACWIFEXDQPSZ-UHFFFAOYSA-N 1 2 352.891 2.710 10 0 FFAELO C[C@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106145394 508396582 /nfs/dbraw/zinc/39/65/82/508396582.db2.gz YHQABQLUUDTDLW-QGZVFWFLSA-N 1 2 369.513 2.783 10 0 FFAELO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106145394 508396584 /nfs/dbraw/zinc/39/65/84/508396584.db2.gz YHQABQLUUDTDLW-QGZVFWFLSA-N 1 2 369.513 2.783 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000127267393 508423915 /nfs/dbraw/zinc/42/39/15/508423915.db2.gz DBBRRVLYCGQGRU-ZACQAIPSSA-N 1 2 368.399 2.788 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000127267393 508423916 /nfs/dbraw/zinc/42/39/16/508423916.db2.gz DBBRRVLYCGQGRU-ZACQAIPSSA-N 1 2 368.399 2.788 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000115808838 508440062 /nfs/dbraw/zinc/44/00/62/508440062.db2.gz QCBRQZHYGRQIAK-QAPCUYQASA-N 1 2 361.534 2.690 10 0 FFAELO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152556492 508468783 /nfs/dbraw/zinc/46/87/83/508468783.db2.gz PXRHNRMPJPCTRH-KUHUBIRLSA-N 1 2 353.422 2.765 10 0 FFAELO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152556492 508468788 /nfs/dbraw/zinc/46/87/88/508468788.db2.gz PXRHNRMPJPCTRH-KUHUBIRLSA-N 1 2 353.422 2.765 10 0 FFAELO Clc1ccc(-n2cc(C[N@@H+]3CCO[C@H](Cn4cccn4)C3)cn2)cc1 ZINC000122177671 508493721 /nfs/dbraw/zinc/49/37/21/508493721.db2.gz RCDXKNCDFZFKNQ-SFHVURJKSA-N 1 2 357.845 2.623 10 0 FFAELO Clc1ccc(-n2cc(C[N@H+]3CCO[C@H](Cn4cccn4)C3)cn2)cc1 ZINC000122177671 508493726 /nfs/dbraw/zinc/49/37/26/508493726.db2.gz RCDXKNCDFZFKNQ-SFHVURJKSA-N 1 2 357.845 2.623 10 0 FFAELO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000116289340 508494456 /nfs/dbraw/zinc/49/44/56/508494456.db2.gz XSZHIINBJXRFBL-CYBMUJFWSA-N 1 2 363.439 2.617 10 0 FFAELO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000116289340 508494460 /nfs/dbraw/zinc/49/44/60/508494460.db2.gz XSZHIINBJXRFBL-CYBMUJFWSA-N 1 2 363.439 2.617 10 0 FFAELO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3CCC[C@@H]3c3ccco3)n12 ZINC000116290491 508495081 /nfs/dbraw/zinc/49/50/81/508495081.db2.gz OGCCXYINLRCNGO-MRXNPFEDSA-N 1 2 363.421 2.820 10 0 FFAELO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3CCC[C@@H]3c3ccco3)n12 ZINC000116290491 508495084 /nfs/dbraw/zinc/49/50/84/508495084.db2.gz OGCCXYINLRCNGO-MRXNPFEDSA-N 1 2 363.421 2.820 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)cs1 ZINC000116468513 508518816 /nfs/dbraw/zinc/51/88/16/508518816.db2.gz DHAAPENGIKFFDB-UHFFFAOYSA-N 1 2 361.515 2.820 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)cs1 ZINC000116468513 508518820 /nfs/dbraw/zinc/51/88/20/508518820.db2.gz DHAAPENGIKFFDB-UHFFFAOYSA-N 1 2 361.515 2.820 10 0 FFAELO Cc1ccc([C@H]2CSCCN2C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000116528979 508525773 /nfs/dbraw/zinc/52/57/73/508525773.db2.gz OCTZAGGSORQTDR-SJLPKXTDSA-N 1 2 363.527 2.515 10 0 FFAELO Cc1nc(CN2CCC[N@@H+](Cc3c(Cl)n(C)nc3C(C)C)CC2)no1 ZINC000127955384 508527018 /nfs/dbraw/zinc/52/70/18/508527018.db2.gz OCLGENYNMSMVRF-UHFFFAOYSA-N 1 2 366.897 2.596 10 0 FFAELO Cc1nc(CN2CCC[N@H+](Cc3c(Cl)n(C)nc3C(C)C)CC2)no1 ZINC000127955384 508527021 /nfs/dbraw/zinc/52/70/21/508527021.db2.gz OCLGENYNMSMVRF-UHFFFAOYSA-N 1 2 366.897 2.596 10 0 FFAELO CCOc1cc(C[N@@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)ccc1OC ZINC000122576822 508556897 /nfs/dbraw/zinc/55/68/97/508556897.db2.gz IXGKBHFQIHPCKW-SFHVURJKSA-N 1 2 359.470 2.808 10 0 FFAELO CCOc1cc(C[N@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)ccc1OC ZINC000122576822 508556901 /nfs/dbraw/zinc/55/69/01/508556901.db2.gz IXGKBHFQIHPCKW-SFHVURJKSA-N 1 2 359.470 2.808 10 0 FFAELO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1C ZINC000117310882 508592576 /nfs/dbraw/zinc/59/25/76/508592576.db2.gz HGDCSJNZZBBWEG-HXUWFJFHSA-N 1 2 368.477 2.501 10 0 FFAELO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000123317799 508668202 /nfs/dbraw/zinc/66/82/02/508668202.db2.gz AJAGFSGLJDDIAQ-FKIZTMCRSA-N 1 2 360.417 2.960 10 0 FFAELO O=C(c1c2c(sc1-n1cccc1)CCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000136087575 508669323 /nfs/dbraw/zinc/66/93/23/508669323.db2.gz RNOARRKZPKDKFU-OAHLLOKOSA-N 1 2 371.506 2.574 10 0 FFAELO O=C(Nc1c(F)cccc1F)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000118790208 508672940 /nfs/dbraw/zinc/67/29/40/508672940.db2.gz IGUOZRASRMNSLW-KRWDZBQOSA-N 1 2 361.392 2.848 10 0 FFAELO C[C@@H](CNC(=O)Nc1ccnc(Oc2ccccc2)c1)[NH+]1CCOCC1 ZINC000118890837 508690898 /nfs/dbraw/zinc/69/08/98/508690898.db2.gz JPMCFVVOJYSSLU-HNNXBMFYSA-N 1 2 356.426 2.716 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3nc(C)cs3)CC2)cn1 ZINC000154118350 508720395 /nfs/dbraw/zinc/72/03/95/508720395.db2.gz WQOKBFSEFIFQDU-UHFFFAOYSA-N 1 2 362.503 2.798 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3nc(C)cs3)CC2)cn1 ZINC000154118350 508720398 /nfs/dbraw/zinc/72/03/98/508720398.db2.gz WQOKBFSEFIFQDU-UHFFFAOYSA-N 1 2 362.503 2.798 10 0 FFAELO Cc1cncc(CNC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c1 ZINC000119086514 508722365 /nfs/dbraw/zinc/72/23/65/508722365.db2.gz LTIHNNOPUHWHBR-WBVHZDCISA-N 1 2 374.510 2.713 10 0 FFAELO Cc1cncc(CNC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)c1 ZINC000119086514 508722371 /nfs/dbraw/zinc/72/23/71/508722371.db2.gz LTIHNNOPUHWHBR-WBVHZDCISA-N 1 2 374.510 2.713 10 0 FFAELO O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154238470 508743085 /nfs/dbraw/zinc/74/30/85/508743085.db2.gz DPWZLRPOCSPVHD-OTWHNJEPSA-N 1 2 353.422 2.775 10 0 FFAELO C[C@@H](CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000124279492 508808563 /nfs/dbraw/zinc/80/85/63/508808563.db2.gz QRLYJCALUJQYBV-JTQLQIEISA-N 1 2 350.768 2.809 10 0 FFAELO Cc1ccc([C@H](CNC(=O)C2=C(C)OCCC2)[NH+]2CCOCC2)s1 ZINC000154948815 508890166 /nfs/dbraw/zinc/89/01/66/508890166.db2.gz XPZAUTRYGMOMBH-INIZCTEOSA-N 1 2 350.484 2.630 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)N(C)C3CCCCC3)CC2)s1 ZINC000155065174 508915656 /nfs/dbraw/zinc/91/56/56/508915656.db2.gz CWBVBDWSZNZEQX-OAHLLOKOSA-N 1 2 364.559 2.749 10 0 FFAELO Cc1ncc(CN2CC[NH+]([C@H](C)C(=O)N(C)C3CCCCC3)CC2)s1 ZINC000155065174 508915658 /nfs/dbraw/zinc/91/56/58/508915658.db2.gz CWBVBDWSZNZEQX-OAHLLOKOSA-N 1 2 364.559 2.749 10 0 FFAELO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)C2CCCCC2)CCN1CCOC ZINC000155098100 508922922 /nfs/dbraw/zinc/92/29/22/508922922.db2.gz GGBBFBLIDYRHPG-ZWKOTPCHSA-N 1 2 353.551 2.599 10 0 FFAELO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CC)C2CCCCC2)CCN1CCOC ZINC000155098100 508922925 /nfs/dbraw/zinc/92/29/25/508922925.db2.gz GGBBFBLIDYRHPG-ZWKOTPCHSA-N 1 2 353.551 2.599 10 0 FFAELO Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc(C)c1F ZINC000151151030 508967303 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2.883 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC000173769322 509766069 /nfs/dbraw/zinc/76/60/69/509766069.db2.gz JNSWJLIGOOYMHS-CQSZACIVSA-N 1 2 358.461 2.624 10 0 FFAELO O=C(Nc1ccc(Br)cc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173774303 509768811 /nfs/dbraw/zinc/76/88/11/509768811.db2.gz YEZLHLSNVKNZPN-LBPRGKRZSA-N 1 2 372.238 2.527 10 0 FFAELO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3nnnn3C(C)C)C2)cc1 ZINC000170779724 509773933 /nfs/dbraw/zinc/77/39/33/509773933.db2.gz AZNVUKLSIZYAIN-MRXNPFEDSA-N 1 2 371.489 2.596 10 0 FFAELO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3nnnn3C(C)C)C2)cc1 ZINC000170779724 509773939 /nfs/dbraw/zinc/77/39/39/509773939.db2.gz AZNVUKLSIZYAIN-MRXNPFEDSA-N 1 2 371.489 2.596 10 0 FFAELO Cc1sc(-c2ccco2)nc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173838778 509809560 /nfs/dbraw/zinc/80/95/60/509809560.db2.gz ZVBZYVWWHHDMEM-GXTWGEPZSA-N 1 2 361.467 2.504 10 0 FFAELO Cc1cccc(C2(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)CCCC2)c1 ZINC000173857223 509818826 /nfs/dbraw/zinc/81/88/26/509818826.db2.gz HZABSKJIVGQDLG-QUCCMNQESA-N 1 2 356.510 2.986 10 0 FFAELO Cc1cccc(C2(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)CCCC2)c1 ZINC000173857216 509819199 /nfs/dbraw/zinc/81/91/99/509819199.db2.gz HZABSKJIVGQDLG-ICSRJNTNSA-N 1 2 356.510 2.986 10 0 FFAELO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc2c(c1)OCCO2 ZINC000170883868 509830516 /nfs/dbraw/zinc/83/05/16/509830516.db2.gz CRAVRDLVSBZROX-AWEZNQCLSA-N 1 2 356.426 2.762 10 0 FFAELO CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(Nc3cccnn3)CC2)n1 ZINC000173883993 509833628 /nfs/dbraw/zinc/83/36/28/509833628.db2.gz ZKODCNAOIAKONJ-CQSZACIVSA-N 1 2 360.462 2.670 10 0 FFAELO C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173916738 509853461 /nfs/dbraw/zinc/85/34/61/509853461.db2.gz PPSBPYDAALOXIL-CQSZACIVSA-N 1 2 369.446 2.767 10 0 FFAELO C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000173964418 509879736 /nfs/dbraw/zinc/87/97/36/509879736.db2.gz GJTGWONQQCPXDR-CQSZACIVSA-N 1 2 369.446 2.847 10 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ZINC000245395563 509898885 /nfs/dbraw/zinc/89/88/85/509898885.db2.gz HZOFVZNEHKLZKE-XHSDSOJGSA-N 1 2 362.474 2.568 10 0 FFAELO C[C@H](CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C(=O)c1ccc(Cl)cc1 ZINC000180412900 509913664 /nfs/dbraw/zinc/91/36/64/509913664.db2.gz AIWTWPSHIMBQSJ-CXAGYDPISA-N 1 2 364.873 2.528 10 0 FFAELO C[C@H](CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C(=O)c1ccc(Cl)cc1 ZINC000180412900 509913674 /nfs/dbraw/zinc/91/36/74/509913674.db2.gz AIWTWPSHIMBQSJ-CXAGYDPISA-N 1 2 364.873 2.528 10 0 FFAELO C[C@H]1CN(C(=O)C2(c3ccc(F)cc3F)CCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000180484302 509949161 /nfs/dbraw/zinc/94/91/61/509949161.db2.gz CWGOXKKVLGWFAS-KSSFIOAISA-N 1 2 364.436 2.566 10 0 FFAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000190146756 509966560 /nfs/dbraw/zinc/96/65/60/509966560.db2.gz BJUWYXOICIRNLQ-IAGOWNOFSA-N 1 2 367.409 2.922 10 0 FFAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000190146756 509966566 /nfs/dbraw/zinc/96/65/66/509966566.db2.gz 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CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183848865 510004534 /nfs/dbraw/zinc/00/45/34/510004534.db2.gz LSPOAAUQKYQDKZ-MRXNPFEDSA-N 1 2 366.465 2.824 10 0 FFAELO O=C(NCc1ccnc(N2CCCCC2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177379443 510023688 /nfs/dbraw/zinc/02/36/88/510023688.db2.gz MMLBNOVNEVXIFW-GOSISDBHSA-N 1 2 368.485 2.643 10 0 FFAELO O=C(NCc1cccnc1OC1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177389692 510031102 /nfs/dbraw/zinc/03/11/02/510031102.db2.gz SPHYNWAKGNAAED-QGZVFWFLSA-N 1 2 369.469 2.974 10 0 FFAELO CC(C)c1nc([C@H]2CCCN2C(=O)NCc2ccc[nH+]c2N(C)C)no1 ZINC000177396587 510034581 /nfs/dbraw/zinc/03/45/81/510034581.db2.gz NNTPKJSMLFYVSF-CQSZACIVSA-N 1 2 358.446 2.701 10 0 FFAELO CN(CCCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000177439587 510059183 /nfs/dbraw/zinc/05/91/83/510059183.db2.gz SDFHQFFHSWZLOW-LJQANCHMSA-N 1 2 355.486 2.974 10 0 FFAELO C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)COCc1ccccc1 ZINC000177441901 510061640 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355.467 2.904 10 0 FFAELO O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000245724031 510109462 /nfs/dbraw/zinc/10/94/62/510109462.db2.gz RSYWBGPSQRSZFP-SJORKVTESA-N 1 2 371.460 2.865 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)CCO2)c1 ZINC000171513597 510200643 /nfs/dbraw/zinc/20/06/43/510200643.db2.gz MZVMKBSXCVPRKH-PBHICJAKSA-N 1 2 369.387 2.645 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+](C[C@H](O)c3ccccc3C(F)(F)F)CCO2)c1 ZINC000171513597 510200647 /nfs/dbraw/zinc/20/06/47/510200647.db2.gz MZVMKBSXCVPRKH-PBHICJAKSA-N 1 2 369.387 2.645 10 0 FFAELO C[C@@H](O)c1ccc(CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000184280323 510237958 /nfs/dbraw/zinc/23/79/58/510237958.db2.gz ZRSYSCGBYYWBEW-MRXNPFEDSA-N 1 2 354.454 2.557 10 0 FFAELO O=C(c1ccc(N2CCCCCC2)nc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177763450 510239762 /nfs/dbraw/zinc/23/97/62/510239762.db2.gz XNOXFINBBOLRHB-GOSISDBHSA-N 1 2 353.470 2.963 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1cc(F)ccc1Br ZINC000184292417 510244278 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CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cc(Br)ccc1Cl ZINC000633927397 523071453 /nfs/dbraw/zinc/07/14/53/523071453.db2.gz FGFVYDXKQRGTPY-NSHDSACASA-N 1 2 361.667 2.505 10 0 FFAELO O=C(Cc1cccs1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275515143 527301651 /nfs/dbraw/zinc/30/16/51/527301651.db2.gz DOEKPKGZFUDHSG-HNNXBMFYSA-N 1 2 357.479 2.966 10 0 FFAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1nc(Br)ccc1O ZINC000121572506 728631322 /nfs/dbraw/zinc/63/13/22/728631322.db2.gz STYGLCJNRFJZNP-GFCCVEGCSA-N 1 2 364.243 2.661 10 0 FFAELO C[C@H](CNC(=O)N[C@H]1CCCOc2cc(Cl)ccc21)[NH+]1CCOCC1 ZINC000180466316 729215126 /nfs/dbraw/zinc/21/51/26/729215126.db2.gz BNYCBBMRUCUJBX-CJNGLKHVSA-N 1 2 367.877 2.574 10 0 FFAELO C[C@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000194697846 729518044 /nfs/dbraw/zinc/51/80/44/729518044.db2.gz JGELMRYCYBKDQN-WFASDCNBSA-N 1 2 374.815 2.647 10 0 FFAELO CCCC[C@@H]1NC(=O)N(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)C1=O ZINC000195304784 729535360 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352.504 2.610 10 0 FFAELO Cc1nc([C@@H]2CCCN2c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)cs1 ZINC000334057185 729813497 /nfs/dbraw/zinc/81/34/97/729813497.db2.gz VZBJXUGKOOHWOW-INWMFGNUSA-N 1 2 359.499 2.790 10 0 FFAELO Cc1nc([C@@H]2CCCN2c2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)cs1 ZINC000334057185 729813498 /nfs/dbraw/zinc/81/34/98/729813498.db2.gz VZBJXUGKOOHWOW-INWMFGNUSA-N 1 2 359.499 2.790 10 0 FFAELO Cc1nnc([C@H]2CCC[N@H+](Cc3c(Br)cnn3C)[C@H]2C)o1 ZINC000886078332 733746222 /nfs/dbraw/zinc/74/62/22/733746222.db2.gz WIYPEKUSSRVFME-ONGXEEELSA-N 1 2 354.252 2.642 10 0 FFAELO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(Br)cnn3C)[C@H]2C)o1 ZINC000886078332 733746225 /nfs/dbraw/zinc/74/62/25/733746225.db2.gz WIYPEKUSSRVFME-ONGXEEELSA-N 1 2 354.252 2.642 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC2CCC(C)CC2)CC1 ZINC000115808869 962481879 /nfs/dbraw/zinc/48/18/79/962481879.db2.gz YHMKMMMVIFQPGF-UHFFFAOYSA-N 1 2 361.534 2.690 10 0 FFAELO Cn1c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)nnc1-c1ccccc1 ZINC000103467285 1000087293 /nfs/dbraw/zinc/08/72/93/1000087293.db2.gz BKUKCQVQUMTFAA-UHFFFAOYSA-N 1 2 371.485 2.971 10 0 FFAELO Cc1cc(C(=O)C[N@H+](C)C[C@H]2CCCO2)c(C)n1NC(=O)c1ccccc1 ZINC000103480730 1003040523 /nfs/dbraw/zinc/04/05/23/1003040523.db2.gz JZGNXWFHPMGERZ-GOSISDBHSA-N 1 2 369.465 2.782 10 0 FFAELO Cc1cc(C(=O)C[N@@H+](C)C[C@H]2CCCO2)c(C)n1NC(=O)c1ccccc1 ZINC000103480730 1003040529 /nfs/dbraw/zinc/04/05/29/1003040529.db2.gz JZGNXWFHPMGERZ-GOSISDBHSA-N 1 2 369.465 2.782 10 0 FFAELO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000072723274 249775679 /nfs/dbraw/zinc/77/56/79/249775679.db2.gz SFVJZWUYRZNSDF-NVXWUHKLSA-N 1 2 374.510 2.606 10 0 FFAELO Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(n4cncn4)CC3)c2C)no1 ZINC000103471995 250153157 /nfs/dbraw/zinc/15/31/57/250153157.db2.gz QZUWUEONUAQNTC-UHFFFAOYSA-N 1 2 368.441 2.502 10 0 FFAELO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081705 250232411 /nfs/dbraw/zinc/23/24/11/250232411.db2.gz DYODONVNBNYLEF-GFCCVEGCSA-N 1 2 361.396 2.658 10 0 FFAELO Cc1ccc(NC(=O)C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1Cl ZINC000106085129 250232980 /nfs/dbraw/zinc/23/29/80/250232980.db2.gz GERVEMUTUICZIW-UHFFFAOYSA-N 1 2 373.888 2.978 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C[C@@H](O)c3c(F)cccc3F)CC2)s1 ZINC000106090128 250234888 /nfs/dbraw/zinc/23/48/88/250234888.db2.gz LGJPZRZARGUWDQ-MRXNPFEDSA-N 1 2 353.438 2.581 10 0 FFAELO Cc1nc(CN2CCC[N@@H+](CC(=O)Nc3ccccc3C(C)C)CC2)no1 ZINC000106148780 250244846 /nfs/dbraw/zinc/24/48/46/250244846.db2.gz JDSQGWJCOAATGM-UHFFFAOYSA-N 1 2 371.485 2.648 10 0 FFAELO Cc1nc(CN2CCC[N@H+](CC(=O)Nc3ccccc3C(C)C)CC2)no1 ZINC000106148780 250244849 /nfs/dbraw/zinc/24/48/49/250244849.db2.gz JDSQGWJCOAATGM-UHFFFAOYSA-N 1 2 371.485 2.648 10 0 FFAELO CC(C)c1nnc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)o1 ZINC000106160396 250246991 /nfs/dbraw/zinc/24/69/91/250246991.db2.gz VQCJRFLPKUFBGQ-AWEZNQCLSA-N 1 2 350.488 2.760 10 0 FFAELO CC(C)c1nnc(C[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)o1 ZINC000106160396 250246995 /nfs/dbraw/zinc/24/69/95/250246995.db2.gz VQCJRFLPKUFBGQ-AWEZNQCLSA-N 1 2 350.488 2.760 10 0 FFAELO C[C@H](CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)[NH+]1CCOCC1 ZINC000106529778 250275325 /nfs/dbraw/zinc/27/53/25/250275325.db2.gz CJLQFACJKSKZHD-OLZOCXBDSA-N 1 2 354.520 2.522 10 0 FFAELO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1)c1cccs1 ZINC000106540350 250276081 /nfs/dbraw/zinc/27/60/81/250276081.db2.gz HEFMKOWOKFWEHU-HZPDHXFCSA-N 1 2 350.532 2.621 10 0 FFAELO Fc1ccc(OCc2noc(C[NH+]3CCC(Cn4cccn4)CC3)n2)cc1 ZINC000106183833 250251591 /nfs/dbraw/zinc/25/15/91/250251591.db2.gz ODTNNACOLBWEII-UHFFFAOYSA-N 1 2 371.416 2.896 10 0 FFAELO CCOc1cc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1OC ZINC000153086958 251101298 /nfs/dbraw/zinc/10/12/98/251101298.db2.gz LBRYFVMFRMQHOV-VMSUTVGLSA-N 1 2 367.449 2.897 10 0 FFAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCN1C ZINC000275444760 256007723 /nfs/dbraw/zinc/00/77/23/256007723.db2.gz QTSLRRUJDYSLOX-DLBZAZTESA-N 1 2 373.888 2.759 10 0 FFAELO CO[C@H](C(=O)Nc1cnn(Cc2cn3ccccc3[nH+]2)c1)c1ccccc1 ZINC000058289482 221112418 /nfs/dbraw/zinc/11/24/18/221112418.db2.gz IAKSXKWIEJXCQY-IBGZPJMESA-N 1 2 361.405 2.905 10 0 FFAELO C[NH+]1CCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000064746642 221151025 /nfs/dbraw/zinc/15/10/25/221151025.db2.gz DRZMRINCKLTNGP-UHFFFAOYSA-N 1 2 374.655 2.564 10 0 FFAELO Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3F)CC[N@H+]2C)cc1 ZINC000065281845 221193052 /nfs/dbraw/zinc/19/30/52/221193052.db2.gz OMYYBFUKXWCBHG-QGZVFWFLSA-N 1 2 366.433 2.951 10 0 FFAELO Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3F)CC[N@@H+]2C)cc1 ZINC000065281845 221193053 /nfs/dbraw/zinc/19/30/53/221193053.db2.gz OMYYBFUKXWCBHG-QGZVFWFLSA-N 1 2 366.433 2.951 10 0 FFAELO Cc1ccc([C@@H](C)NC(=O)Cn2ncc3c2nc[nH+]c3N2CCCC2)cc1 ZINC000065294990 221197677 /nfs/dbraw/zinc/19/76/77/221197677.db2.gz FMUULXKUJQGJHU-OAHLLOKOSA-N 1 2 364.453 2.612 10 0 FFAELO CCc1csc([C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000277604959 256216895 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C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000303340393 258114812 /nfs/dbraw/zinc/11/48/12/258114812.db2.gz YULWVPDIVQDVAL-ZACQAIPSSA-N 1 2 370.497 2.843 10 0 FFAELO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000301687419 258063092 /nfs/dbraw/zinc/06/30/92/258063092.db2.gz XJZJJERFWJUVKX-CQSZACIVSA-N 1 2 367.409 2.714 10 0 FFAELO Cc1csc2c1ncnc2N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000330110175 258155378 /nfs/dbraw/zinc/15/53/78/258155378.db2.gz QFOSEBLXPNPJIG-GJZGRUSLSA-N 1 2 374.489 2.782 10 0 FFAELO Cc1csc2c1ncnc2N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000330110175 258155379 /nfs/dbraw/zinc/15/53/79/258155379.db2.gz QFOSEBLXPNPJIG-GJZGRUSLSA-N 1 2 374.489 2.782 10 0 FFAELO O=C(CN1c2ccccc2CCCC1=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000328771609 258120282 /nfs/dbraw/zinc/12/02/82/258120282.db2.gz ARBUZAVMFYTPHT-KRWDZBQOSA-N 1 2 352.438 2.833 10 0 FFAELO COc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1OC1CCCC1 ZINC000328913838 258123910 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ZINC000106193618 250253319 /nfs/dbraw/zinc/25/33/19/250253319.db2.gz LLYALYFRQZABTN-WMZOPIPTSA-N 1 2 364.449 2.764 10 0 FFAELO C[C@H](CNC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)[NH+]1CCOCC1 ZINC000106944827 250301754 /nfs/dbraw/zinc/30/17/54/250301754.db2.gz ACLQAKNTHCWGCI-SNVBAGLBSA-N 1 2 372.347 2.689 10 0 FFAELO COC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000111724460 250316894 /nfs/dbraw/zinc/31/68/94/250316894.db2.gz KNTATECZHJBBRS-UHFFFAOYSA-N 1 2 374.466 2.588 10 0 FFAELO Cc1cnn(CCNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000118013175 250370924 /nfs/dbraw/zinc/37/09/24/250370924.db2.gz RFYJNSJSZBWGHX-IRXDYDNUSA-N 1 2 371.485 2.622 10 0 FFAELO Cc1sc2nc(CN3CC[C@@H](CNc4cccc[nH+]4)C3)[nH]c(=O)c2c1C ZINC000163460138 251191685 /nfs/dbraw/zinc/19/16/85/251191685.db2.gz FMACDBVTKPIFPF-AWEZNQCLSA-N 1 2 369.494 2.930 10 0 FFAELO C[C@@H](COCc1ccccc1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175584067 251233414 /nfs/dbraw/zinc/23/34/14/251233414.db2.gz VZFHVOCDMSCHRY-KRWDZBQOSA-N 1 2 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ZINC000330019494 258153156 /nfs/dbraw/zinc/15/31/56/258153156.db2.gz VDRAAZPBNLMSCL-OFLPRAFFSA-N 1 2 361.486 2.723 10 0 FFAELO CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C[C@H]1OC ZINC000330169120 258157516 /nfs/dbraw/zinc/15/75/16/258157516.db2.gz DBWVHHYGUSEEOE-NUEKZKHPSA-N 1 2 367.515 2.543 10 0 FFAELO Cc1nc(C)n(C[C@@H]2CCCN(c3nc(C4CC4)[nH+]c4c3CCC4)C2)n1 ZINC000328834998 258122006 /nfs/dbraw/zinc/12/20/06/258122006.db2.gz MDPLBRCCTVCIGV-OAHLLOKOSA-N 1 2 352.486 2.968 10 0 FFAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncoc3-c3ccccc3Cl)C[C@H]21 ZINC000328901205 258123601 /nfs/dbraw/zinc/12/36/01/258123601.db2.gz YUCZACKOEXXMAP-HUUCEWRRSA-N 1 2 361.829 2.540 10 0 FFAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncoc3-c3ccccc3Cl)C[C@H]21 ZINC000328901205 258123602 /nfs/dbraw/zinc/12/36/02/258123602.db2.gz YUCZACKOEXXMAP-HUUCEWRRSA-N 1 2 361.829 2.540 10 0 FFAELO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C[C@H]1CCCCNC1=O ZINC000329004136 258126659 /nfs/dbraw/zinc/12/66/59/258126659.db2.gz MBRWOSWVADFHPJ-HBFSDRIKSA-N 1 2 373.497 2.663 10 0 FFAELO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C[C@H]1CCCCNC1=O ZINC000329004136 258126660 /nfs/dbraw/zinc/12/66/60/258126660.db2.gz MBRWOSWVADFHPJ-HBFSDRIKSA-N 1 2 373.497 2.663 10 0 FFAELO Cc1nc([C@@H]2CCCN2CC(C)C[N@@H+]2CCC[C@H]2c2noc(C)n2)no1 ZINC000329341155 258135883 /nfs/dbraw/zinc/13/58/83/258135883.db2.gz ZQEWKOVOMRRLIU-HOTGVXAUSA-N 1 2 360.462 2.680 10 0 FFAELO Cc1nc([C@@H]2CCCN2CC(C)C[N@H+]2CCC[C@H]2c2noc(C)n2)no1 ZINC000329341155 258135884 /nfs/dbraw/zinc/13/58/84/258135884.db2.gz ZQEWKOVOMRRLIU-HOTGVXAUSA-N 1 2 360.462 2.680 10 0 FFAELO O=C(CCC1CCOCC1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000333044594 258246630 /nfs/dbraw/zinc/24/66/30/258246630.db2.gz PEVTVLOIVSJSAY-SFHVURJKSA-N 1 2 373.497 2.868 10 0 FFAELO O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC2(CC[NH2+]2)CC1 ZINC000333230056 258257250 /nfs/dbraw/zinc/25/72/50/258257250.db2.gz BSMSJPAIDPQDKN-UHFFFAOYSA-N 1 2 363.874 2.640 10 0 FFAELO Cc1cccc(O[C@H]2COCC[N@@H+](Cc3nc4ccccc4n3C)C2)n1 ZINC000096296470 222112257 /nfs/dbraw/zinc/11/22/57/222112257.db2.gz NGEMFUHQBRFXIQ-MRXNPFEDSA-N 1 2 352.438 2.557 10 0 FFAELO Cc1cccc(O[C@H]2COCC[N@H+](Cc3nc4ccccc4n3C)C2)n1 ZINC000096296470 222112261 /nfs/dbraw/zinc/11/22/61/222112261.db2.gz NGEMFUHQBRFXIQ-MRXNPFEDSA-N 1 2 352.438 2.557 10 0 FFAELO C[C@@H]1C[NH+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C[C@@H](C)O1 ZINC000032757808 506291111 /nfs/dbraw/zinc/29/11/11/506291111.db2.gz PKEODZWOQOKLMG-NUJGCVRESA-N 1 2 374.481 2.621 10 0 FFAELO O=C(NCc1ccco1)C1CCN(c2[nH+]cccc2-n2cccc2)CC1 ZINC000033034562 506327371 /nfs/dbraw/zinc/32/73/71/506327371.db2.gz KIVMERLVEBBWDS-UHFFFAOYSA-N 1 2 350.422 2.998 10 0 FFAELO Cc1ccc(OC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3)CCO2)cc1 ZINC000034670887 506367436 /nfs/dbraw/zinc/36/74/36/506367436.db2.gz CYHKHAFNZLUNJO-RXVVDRJESA-N 1 2 357.450 2.515 10 0 FFAELO Cc1ccc(OC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CCO2)cc1 ZINC000034670887 506367441 /nfs/dbraw/zinc/36/74/41/506367441.db2.gz CYHKHAFNZLUNJO-RXVVDRJESA-N 1 2 357.450 2.515 10 0 FFAELO CC(C)NC(=O)CCNC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000043440168 506743346 /nfs/dbraw/zinc/74/33/46/506743346.db2.gz VCXQGLBRFGIMEU-UHFFFAOYSA-N 1 2 357.458 2.799 10 0 FFAELO CC[NH+]1CCN(c2c(C=O)c(C(F)(F)F)nn2-c2ccccc2)CC1 ZINC000043464365 506745555 /nfs/dbraw/zinc/74/55/55/506745555.db2.gz XJNXKKIIWYNQPI-UHFFFAOYSA-N 1 2 352.360 2.846 10 0 FFAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000056624547 507060896 /nfs/dbraw/zinc/06/08/96/507060896.db2.gz FFIIQLQMMBAPHM-UHFFFAOYSA-N 1 2 354.454 2.901 10 0 FFAELO C[C@H](CNC(=O)N1CCC(CCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000046258727 507105639 /nfs/dbraw/zinc/10/56/39/507105639.db2.gz DULOEXTZHPIXOD-GOSISDBHSA-N 1 2 359.514 2.762 10 0 FFAELO C[C@H](Oc1cccc(C=O)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000068307101 507179678 /nfs/dbraw/zinc/17/96/78/507179678.db2.gz VARGZEUZUUKBON-AWEZNQCLSA-N 1 2 367.380 2.908 10 0 FFAELO 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508987882 /nfs/dbraw/zinc/98/78/82/508987882.db2.gz WRXVSXVWQMZXDZ-IBGZPJMESA-N 1 2 361.530 2.740 10 0 FFAELO Cc1cc(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)c(C)n1CCC(C)C ZINC000131998414 508987884 /nfs/dbraw/zinc/98/78/84/508987884.db2.gz WRXVSXVWQMZXDZ-IBGZPJMESA-N 1 2 361.530 2.740 10 0 FFAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000151565570 509044684 /nfs/dbraw/zinc/04/46/84/509044684.db2.gz GNENOPFKSBUWQA-UHFFFAOYSA-N 1 2 364.467 2.973 10 0 FFAELO CCCn1c(C)c(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c2cc(OC)ccc21 ZINC000151780973 509081891 /nfs/dbraw/zinc/08/18/91/509081891.db2.gz RHJOJEOVAQQXCR-MOPGFXCFSA-N 1 2 371.481 2.523 10 0 FFAELO CCCn1c(C)c(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2cc(OC)ccc21 ZINC000151780973 509081896 /nfs/dbraw/zinc/08/18/96/509081896.db2.gz RHJOJEOVAQQXCR-MOPGFXCFSA-N 1 2 371.481 2.523 10 0 FFAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2noc(CCCC(=O)OC)n2)C12CCCC2 ZINC000121117984 509131743 /nfs/dbraw/zinc/13/17/43/509131743.db2.gz NBDHZOIKTQNZKR-CABCVRRESA-N 1 2 365.474 2.735 10 0 FFAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(CCCC(=O)OC)n2)C12CCCC2 ZINC000121117984 509131746 /nfs/dbraw/zinc/13/17/46/509131746.db2.gz NBDHZOIKTQNZKR-CABCVRRESA-N 1 2 365.474 2.735 10 0 FFAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000121423817 509172936 /nfs/dbraw/zinc/17/29/36/509172936.db2.gz NQSDVKHESGFDIW-OAHLLOKOSA-N 1 2 366.469 2.901 10 0 FFAELO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505426 509200484 /nfs/dbraw/zinc/20/04/84/509200484.db2.gz JZAXKDBNAMLGJZ-CYBMUJFWSA-N 1 2 364.457 2.861 10 0 FFAELO O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743162 509207460 /nfs/dbraw/zinc/20/74/60/509207460.db2.gz JKFBGZFCUIKJCR-HOTGVXAUSA-N 1 2 356.388 2.656 10 0 FFAELO O=C(c1ccccc1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172747955 509209799 /nfs/dbraw/zinc/20/97/99/509209799.db2.gz SPWRRSJNABBBBX-FQEVSTJZSA-N 1 2 350.462 2.824 10 0 FFAELO CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172752832 509212369 /nfs/dbraw/zinc/21/23/69/509212369.db2.gz BPCACSBXGQIKKH-OALUTQOASA-N 1 2 362.539 2.878 10 0 FFAELO Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172768460 509223549 /nfs/dbraw/zinc/22/35/49/509223549.db2.gz UEJXSXGQZRQMRG-MRXNPFEDSA-N 1 2 357.479 2.665 10 0 FFAELO C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2F)C[C@H]1[NH+]1CCOCC1 ZINC000185556877 509236281 /nfs/dbraw/zinc/23/62/81/509236281.db2.gz HYCOHCGGTNKSKS-CZUORRHYSA-N 1 2 368.880 2.936 10 0 FFAELO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000192043101 509314569 /nfs/dbraw/zinc/31/45/69/509314569.db2.gz SHOIIIWYYQAXNQ-XJKSGUPXSA-N 1 2 373.280 2.614 10 0 FFAELO Cc1csc(C2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)n1 ZINC000188907525 509318582 /nfs/dbraw/zinc/31/85/82/509318582.db2.gz GGFXHHNVAZZGBE-KRWDZBQOSA-N 1 2 363.527 2.801 10 0 FFAELO Cc1csc(C2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)n1 ZINC000188907525 509318585 /nfs/dbraw/zinc/31/85/85/509318585.db2.gz GGFXHHNVAZZGBE-KRWDZBQOSA-N 1 2 363.527 2.801 10 0 FFAELO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182679813 509367896 /nfs/dbraw/zinc/36/78/96/509367896.db2.gz HHWZHJYQTPPXRZ-LSDHHAIUSA-N 1 2 354.376 2.954 10 0 FFAELO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182679813 509367897 /nfs/dbraw/zinc/36/78/97/509367897.db2.gz HHWZHJYQTPPXRZ-LSDHHAIUSA-N 1 2 354.376 2.954 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)c2ncncc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000179344378 509390373 /nfs/dbraw/zinc/39/03/73/509390373.db2.gz HDFKXDSBHQSKED-ZFWWWQNUSA-N 1 2 352.772 2.583 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)c2ncncc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000179344378 509390380 /nfs/dbraw/zinc/39/03/80/509390380.db2.gz HDFKXDSBHQSKED-ZFWWWQNUSA-N 1 2 352.772 2.583 10 0 FFAELO O=C(C[N@H+]1CC[C@@H](CCO)C1)Nc1ccc(Br)cc1Cl ZINC000227570398 509411184 /nfs/dbraw/zinc/41/11/84/509411184.db2.gz MGUWDQRGWUGNRG-JTQLQIEISA-N 1 2 361.667 2.745 10 0 FFAELO O=C(C[N@@H+]1CC[C@@H](CCO)C1)Nc1ccc(Br)cc1Cl ZINC000227570398 509411189 /nfs/dbraw/zinc/41/11/89/509411189.db2.gz MGUWDQRGWUGNRG-JTQLQIEISA-N 1 2 361.667 2.745 10 0 FFAELO CCc1ccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000182791571 509427139 /nfs/dbraw/zinc/42/71/39/509427139.db2.gz FQHQKUKKCVHLNF-UHFFFAOYSA-N 1 2 354.454 2.629 10 0 FFAELO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000248674880 509429257 /nfs/dbraw/zinc/42/92/57/509429257.db2.gz IGPLHJVGKIETLT-DOMZBBRYSA-N 1 2 360.845 2.540 10 0 FFAELO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000248674880 509429266 /nfs/dbraw/zinc/42/92/66/509429266.db2.gz IGPLHJVGKIETLT-DOMZBBRYSA-N 1 2 360.845 2.540 10 0 FFAELO O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000189155233 509439872 /nfs/dbraw/zinc/43/98/72/509439872.db2.gz JCJRUHPAPPTFRL-ZWKOTPCHSA-N 1 2 353.470 2.665 10 0 FFAELO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000248722031 509453882 /nfs/dbraw/zinc/45/38/82/509453882.db2.gz INNAKGDFYJQBBB-ROUUACIJSA-N 1 2 374.525 2.898 10 0 FFAELO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000248722031 509453892 /nfs/dbraw/zinc/45/38/92/509453892.db2.gz INNAKGDFYJQBBB-ROUUACIJSA-N 1 2 374.525 2.898 10 0 FFAELO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000164155469 509469596 /nfs/dbraw/zinc/46/95/96/509469596.db2.gz FQSYMHYUUAGAML-XLIONFOSSA-N 1 2 354.454 2.709 10 0 FFAELO CCc1nnc([C@@H]2C[N@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)[nH]1 ZINC000182934584 509504215 /nfs/dbraw/zinc/50/42/15/509504215.db2.gz ILZAROSIBATBKG-INIZCTEOSA-N 1 2 358.490 2.722 10 0 FFAELO CCc1nnc([C@@H]2C[N@@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)[nH]1 ZINC000182934584 509504220 /nfs/dbraw/zinc/50/42/20/509504220.db2.gz ILZAROSIBATBKG-INIZCTEOSA-N 1 2 358.490 2.722 10 0 FFAELO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248892402 509531961 /nfs/dbraw/zinc/53/19/61/509531961.db2.gz SHOIIIWYYQAXNQ-CJNGLKHVSA-N 1 2 373.280 2.614 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](CCOc3ccc(F)cc3Cl)CCO2)c1 ZINC000179609208 509534468 /nfs/dbraw/zinc/53/44/68/509534468.db2.gz KROBMZKYHVRYAP-HNNXBMFYSA-N 1 2 353.825 2.764 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)CCO2)c1 ZINC000179609208 509534472 /nfs/dbraw/zinc/53/44/72/509534472.db2.gz KROBMZKYHVRYAP-HNNXBMFYSA-N 1 2 353.825 2.764 10 0 FFAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000248973113 509558609 /nfs/dbraw/zinc/55/86/09/509558609.db2.gz PVOMKAZRKSYVJN-MSOLQXFVSA-N 1 2 353.426 2.834 10 0 FFAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000248973113 509558616 /nfs/dbraw/zinc/55/86/16/509558616.db2.gz PVOMKAZRKSYVJN-MSOLQXFVSA-N 1 2 353.426 2.834 10 0 FFAELO C[N@@H+]1CC[C@@H](NC(=O)c2cncc(Cl)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000248973064 509558845 /nfs/dbraw/zinc/55/88/45/509558845.db2.gz SPPIACQZNKGXCG-IUODEOHRSA-N 1 2 352.772 2.583 10 0 FFAELO C[N@H+]1CC[C@@H](NC(=O)c2cncc(Cl)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000248973064 509558850 /nfs/dbraw/zinc/55/88/50/509558850.db2.gz SPPIACQZNKGXCG-IUODEOHRSA-N 1 2 352.772 2.583 10 0 FFAELO CCC(CC)(CNC(=O)[C@H]1CCCn2cc[nH+]c21)NC(=O)OC(C)(C)C ZINC000176526051 509563581 /nfs/dbraw/zinc/56/35/81/509563581.db2.gz PCXVIFZFWVPOIM-AWEZNQCLSA-N 1 2 364.490 2.960 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cc(Cl)c[nH]1 ZINC000176528654 509564989 /nfs/dbraw/zinc/56/49/89/509564989.db2.gz TUMYHSDYHDKASM-AWEZNQCLSA-N 1 2 353.875 2.875 10 0 FFAELO C[C@H](NC(=O)NCCC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173384372 509566148 /nfs/dbraw/zinc/56/61/48/509566148.db2.gz ADOUQHKSJYECAF-AWEZNQCLSA-N 1 2 358.442 2.964 10 0 FFAELO CCCN(CC)c1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173402316 509574878 /nfs/dbraw/zinc/57/48/78/509574878.db2.gz ZJIGXXMIFCOGAG-YLJYHZDGSA-N 1 2 359.514 2.716 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)c2cccc(F)c2)nc[nH+]1 ZINC000173418858 509586241 /nfs/dbraw/zinc/58/62/41/509586241.db2.gz BDUDZVPULARJCK-XJKSGUPXSA-N 1 2 357.433 2.546 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)c2cccc(F)c2)[nH+]cn1 ZINC000173418858 509586247 /nfs/dbraw/zinc/58/62/47/509586247.db2.gz BDUDZVPULARJCK-XJKSGUPXSA-N 1 2 357.433 2.546 10 0 FFAELO CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173418213 509587011 /nfs/dbraw/zinc/58/70/11/509587011.db2.gz OLLSKTVUSYSHRO-AWEZNQCLSA-N 1 2 374.514 2.780 10 0 FFAELO CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173418213 509587019 /nfs/dbraw/zinc/58/70/19/509587019.db2.gz OLLSKTVUSYSHRO-AWEZNQCLSA-N 1 2 374.514 2.780 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@@H](C)c2cccc(F)c2)nc[nH+]1 ZINC000173418420 509587070 /nfs/dbraw/zinc/58/70/70/509587070.db2.gz VIUFUZQLDRDGBJ-PBHICJAKSA-N 1 2 371.460 2.936 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@@H](C)c2cccc(F)c2)[nH+]cn1 ZINC000173418420 509587077 /nfs/dbraw/zinc/58/70/77/509587077.db2.gz VIUFUZQLDRDGBJ-PBHICJAKSA-N 1 2 371.460 2.936 10 0 FFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cccc3c2OCO3)c2cccs2)CCO1 ZINC000176579542 509592481 /nfs/dbraw/zinc/59/24/81/509592481.db2.gz GIQFOTTXALYAQU-HIFRSBDPSA-N 1 2 374.462 2.669 10 0 FFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2cccc3c2OCO3)c2cccs2)CCO1 ZINC000176579542 509592488 /nfs/dbraw/zinc/59/24/88/509592488.db2.gz GIQFOTTXALYAQU-HIFRSBDPSA-N 1 2 374.462 2.669 10 0 FFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)Cc2ccccc2O)c2cccs2)CCO1 ZINC000176587379 509598489 /nfs/dbraw/zinc/59/84/89/509598489.db2.gz KYLOVIBLHHINTL-ZBFHGGJFSA-N 1 2 360.479 2.574 10 0 FFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)Cc2ccccc2O)c2cccs2)CCO1 ZINC000176587379 509598494 /nfs/dbraw/zinc/59/84/94/509598494.db2.gz KYLOVIBLHHINTL-ZBFHGGJFSA-N 1 2 360.479 2.574 10 0 FFAELO COc1cccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)c1 ZINC000176592339 509601161 /nfs/dbraw/zinc/60/11/61/509601161.db2.gz ZXCUEGYQHNIOCV-PBHICJAKSA-N 1 2 360.479 2.949 10 0 FFAELO COc1cccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c1 ZINC000176592339 509601171 /nfs/dbraw/zinc/60/11/71/509601171.db2.gz ZXCUEGYQHNIOCV-PBHICJAKSA-N 1 2 360.479 2.949 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C(C)(C)c2ccccc2)nc[nH+]1 ZINC000173445240 509603792 /nfs/dbraw/zinc/60/37/92/509603792.db2.gz ZTMLQJATPPTRQO-MRXNPFEDSA-N 1 2 353.470 2.581 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C(C)(C)c2ccccc2)[nH+]cn1 ZINC000173445240 509603796 /nfs/dbraw/zinc/60/37/96/509603796.db2.gz ZTMLQJATPPTRQO-MRXNPFEDSA-N 1 2 353.470 2.581 10 0 FFAELO COC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173450804 509608590 /nfs/dbraw/zinc/60/85/90/509608590.db2.gz CJIVAOMOMXKBOE-ZBFHGGJFSA-N 1 2 356.426 2.528 10 0 FFAELO Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c(C)[nH+]1 ZINC000168185379 509644689 /nfs/dbraw/zinc/64/46/89/509644689.db2.gz JGUNGXQRRKGMEK-OAHLLOKOSA-N 1 2 365.355 2.927 10 0 FFAELO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCN(C[C@H](C)O)[C@@H](C)C2)o1 ZINC000249449310 509683194 /nfs/dbraw/zinc/68/31/94/509683194.db2.gz OCSDGTXPRWVVOY-HOTGVXAUSA-N 1 2 372.465 2.620 10 0 FFAELO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCN(C[C@H](C)O)[C@@H](C)C2)o1 ZINC000249449310 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COc1ccsc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000105950517 508385709 /nfs/dbraw/zinc/38/57/09/508385709.db2.gz ABONKLFPEXGCJG-BETUJISGSA-N 1 2 361.467 2.695 10 0 FFAELO Cc1ccccc1COc1cccc(CC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000106020391 508388631 /nfs/dbraw/zinc/38/86/31/508388631.db2.gz ZZWRQWXZDHYYDV-NRFANRHFSA-N 1 2 368.477 2.563 10 0 FFAELO Cc1ccccc1COc1cccc(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000106020391 508388635 /nfs/dbraw/zinc/38/86/35/508388635.db2.gz ZZWRQWXZDHYYDV-NRFANRHFSA-N 1 2 368.477 2.563 10 0 FFAELO Cc1ncc(C[NH+]2CCN(CC(=O)N(C)[C@@H]3CCCC[C@H]3C)CC2)s1 ZINC000106090007 508392515 /nfs/dbraw/zinc/39/25/15/508392515.db2.gz WNDVDSPXHCZSLL-CRAIPNDOSA-N 1 2 364.559 2.606 10 0 FFAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000106091478 508393159 /nfs/dbraw/zinc/39/31/59/508393159.db2.gz MEQYZYYOVCJQND-DOTOQJQBSA-N 1 2 364.559 2.749 10 0 FFAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000106091478 508393160 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Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000156493355 508429206 /nfs/dbraw/zinc/42/92/06/508429206.db2.gz AJLPEOWVSKUDDG-UHFFFAOYSA-N 1 2 373.522 2.766 10 0 FFAELO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000156493355 508429208 /nfs/dbraw/zinc/42/92/08/508429208.db2.gz AJLPEOWVSKUDDG-UHFFFAOYSA-N 1 2 373.522 2.766 10 0 FFAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)NCc1ccc(OC(F)(F)F)cc1 ZINC000121977384 508460550 /nfs/dbraw/zinc/46/05/50/508460550.db2.gz YIJFKLYYBDHJBM-JKSUJKDBSA-N 1 2 372.387 2.845 10 0 FFAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)NCc1ccc(OC(F)(F)F)cc1 ZINC000121977384 508460551 /nfs/dbraw/zinc/46/05/51/508460551.db2.gz YIJFKLYYBDHJBM-JKSUJKDBSA-N 1 2 372.387 2.845 10 0 FFAELO CCOC(=O)C1CCN(C(=O)C[N@H+]2CC=C(c3ccccc3F)CC2)CC1 ZINC000127615239 508476711 /nfs/dbraw/zinc/47/67/11/508476711.db2.gz GPQWNTFVIIZKMI-UHFFFAOYSA-N 1 2 374.456 2.717 10 0 FFAELO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC=C(c3ccccc3F)CC2)CC1 ZINC000127615239 508476712 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Cc1ccc([C@@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CCO2)o1 ZINC000159044046 508784872 /nfs/dbraw/zinc/78/48/72/508784872.db2.gz PEIBTZRWLAHYOW-INIZCTEOSA-N 1 2 359.813 2.823 10 0 FFAELO Cc1ccc([C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CCO2)o1 ZINC000159044046 508784876 /nfs/dbraw/zinc/78/48/76/508784876.db2.gz PEIBTZRWLAHYOW-INIZCTEOSA-N 1 2 359.813 2.823 10 0 FFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(C4CCCCC4)n[nH]3)CC2)cn1 ZINC000130704334 508834434 /nfs/dbraw/zinc/83/44/34/508834434.db2.gz BCMNFCCLECTLJX-UHFFFAOYSA-N 1 2 370.501 2.539 10 0 FFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(C4CCCCC4)n[nH]3)CC2)cn1 ZINC000130704334 508834439 /nfs/dbraw/zinc/83/44/39/508834439.db2.gz BCMNFCCLECTLJX-UHFFFAOYSA-N 1 2 370.501 2.539 10 0 FFAELO Cc1ccc(CCN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000124647127 508863048 /nfs/dbraw/zinc/86/30/48/508863048.db2.gz FTEAWWLNVPPPBC-NRFANRHFSA-N 1 2 354.494 2.595 10 0 FFAELO CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000130950993 508869305 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2.758 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+]([C@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)c1 ZINC000247563133 510865690 /nfs/dbraw/zinc/86/56/90/510865690.db2.gz GGRASVRHNSIDMF-QZTJIDSGSA-N 1 2 356.470 2.536 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+]([C@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)c1 ZINC000247563133 510865691 /nfs/dbraw/zinc/86/56/91/510865691.db2.gz GGRASVRHNSIDMF-QZTJIDSGSA-N 1 2 356.470 2.536 10 0 FFAELO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000333006716 511175988 /nfs/dbraw/zinc/17/59/88/511175988.db2.gz NSFXHBXSMJWUFL-ALQDCCJHSA-N 1 2 354.454 2.873 10 0 FFAELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cnc(C3CC3)nc1)CCCC2 ZINC000295135297 511295389 /nfs/dbraw/zinc/29/53/89/511295389.db2.gz LNFDCYNQMFNFEI-KRWDZBQOSA-N 1 2 351.454 2.944 10 0 FFAELO COc1ncccc1C(=O)N1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000328627096 511898241 /nfs/dbraw/zinc/89/82/41/511898241.db2.gz FVEYGONIULECIL-OAHLLOKOSA-N 1 2 369.469 2.658 10 0 FFAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2cccc3c2CCCC3)CCN1C 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361.667 2.505 10 0 FFAELO O=C(C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1nc2ccccc2s1 ZINC000154620096 728808228 /nfs/dbraw/zinc/80/82/28/728808228.db2.gz UZRMRZXAMGKLCB-CQSZACIVSA-N 1 2 354.435 2.783 10 0 FFAELO O=C(C[N@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1nc2ccccc2s1 ZINC000154620096 728808230 /nfs/dbraw/zinc/80/82/30/728808230.db2.gz UZRMRZXAMGKLCB-CQSZACIVSA-N 1 2 354.435 2.783 10 0 FFAELO C[NH+](C)C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1ccccc1 ZINC000043928547 727976528 /nfs/dbraw/zinc/97/65/28/727976528.db2.gz UILRSFMXNJKYAM-INIZCTEOSA-N 1 2 361.467 2.515 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)s1 ZINC000106090119 728510057 /nfs/dbraw/zinc/51/00/57/728510057.db2.gz UOTUKXGWAFTKRJ-KRWDZBQOSA-N 1 2 353.438 2.581 10 0 FFAELO CCS[C@@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)C ZINC000109645453 728528345 /nfs/dbraw/zinc/52/83/45/728528345.db2.gz VNZLNKLOXJGNHG-ZWKOTPCHSA-N 1 2 350.528 2.642 10 0 FFAELO CC[C@H](CSc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000121630561 728633593 /nfs/dbraw/zinc/63/35/93/728633593.db2.gz SXPCSCBDRBKSHA-JKSUJKDBSA-N 1 2 351.516 2.577 10 0 FFAELO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000174073627 729061966 /nfs/dbraw/zinc/06/19/66/729061966.db2.gz FVJXLSCKRBHNNK-CVEARBPZSA-N 1 2 353.507 2.828 10 0 FFAELO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000174073627 729061970 /nfs/dbraw/zinc/06/19/70/729061970.db2.gz FVJXLSCKRBHNNK-CVEARBPZSA-N 1 2 353.507 2.828 10 0 FFAELO CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000179507019 729187367 /nfs/dbraw/zinc/18/73/67/729187367.db2.gz WCWMYDLLEBETGT-WMZOPIPTSA-N 1 2 366.889 2.677 10 0 FFAELO C[C@H](NC(=O)c1cc(Br)nn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000192142610 729421901 /nfs/dbraw/zinc/42/19/01/729421901.db2.gz VXQLFNIDZCCXPA-NSHDSACASA-N 1 2 374.242 2.859 10 0 FFAELO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cn2cccnc2=S)CC1 ZINC000192182728 729422439 /nfs/dbraw/zinc/42/24/39/729422439.db2.gz HARXKKAAOADJHP-OAHLLOKOSA-N 1 2 366.531 2.698 10 0 FFAELO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cn2cccnc2=S)CC1 ZINC000192182728 729422440 /nfs/dbraw/zinc/42/24/40/729422440.db2.gz HARXKKAAOADJHP-OAHLLOKOSA-N 1 2 366.531 2.698 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000194636552 729516455 /nfs/dbraw/zinc/51/64/55/729516455.db2.gz VABSSUQEPFGRTO-ADQTWTKMSA-N 1 2 362.779 2.819 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000194636552 729516460 /nfs/dbraw/zinc/51/64/60/729516460.db2.gz VABSSUQEPFGRTO-ADQTWTKMSA-N 1 2 362.779 2.819 10 0 FFAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000246529075 729587497 /nfs/dbraw/zinc/58/74/97/729587497.db2.gz JDNHJJBUEOIZHB-DZGCQCFKSA-N 1 2 351.495 2.732 10 0 FFAELO CCn1c(C)nnc1C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000246529075 729587501 /nfs/dbraw/zinc/58/75/01/729587501.db2.gz JDNHJJBUEOIZHB-DZGCQCFKSA-N 1 2 351.495 2.732 10 0 FFAELO Cc1nc([C@@H]2CCCN2c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)cs1 ZINC000334057183 729813399 /nfs/dbraw/zinc/81/33/99/729813399.db2.gz VZBJXUGKOOHWOW-BJJXKVORSA-N 1 2 359.499 2.790 10 0 FFAELO Cc1nc([C@@H]2CCCN2c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)cs1 ZINC000334057183 729813403 /nfs/dbraw/zinc/81/34/03/729813403.db2.gz VZBJXUGKOOHWOW-BJJXKVORSA-N 1 2 359.499 2.790 10 0 FFAELO c1cc2n(n1)[C@H](COc1cccnc1)C[N@@H+](CCOCc1ccccc1)C2 ZINC000253596299 222993886 /nfs/dbraw/zinc/99/38/86/222993886.db2.gz PQYFHNZBGPCGDZ-FQEVSTJZSA-N 1 2 364.449 2.931 10 0 FFAELO c1cc2n(n1)[C@H](COc1cccnc1)C[N@H+](CCOCc1ccccc1)C2 ZINC000253596299 222993888 /nfs/dbraw/zinc/99/38/88/222993888.db2.gz PQYFHNZBGPCGDZ-FQEVSTJZSA-N 1 2 364.449 2.931 10 0 FFAELO CCc1c(C(=O)C[N@H+]2CCC[C@H](c3nncn3CC)C2)[nH]c(C)c1C(C)=O ZINC000103475425 250153812 /nfs/dbraw/zinc/15/38/12/250153812.db2.gz ZNBCPBZUIWQBNN-HNNXBMFYSA-N 1 2 371.485 2.762 10 0 FFAELO CCc1c(C(=O)C[N@@H+]2CCC[C@H](c3nncn3CC)C2)[nH]c(C)c1C(C)=O ZINC000103475425 250153818 /nfs/dbraw/zinc/15/38/18/250153818.db2.gz ZNBCPBZUIWQBNN-HNNXBMFYSA-N 1 2 371.485 2.762 10 0 FFAELO COC(=O)c1cc(F)ccc1CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000103470394 250154201 /nfs/dbraw/zinc/15/42/01/250154201.db2.gz KWOJFXDSCUYDEE-UHFFFAOYSA-N 1 2 361.417 2.535 10 0 FFAELO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000103478192 250156956 /nfs/dbraw/zinc/15/69/56/250156956.db2.gz XKDLLQSGZPQVLH-WMLDXEAASA-N 1 2 369.469 2.707 10 0 FFAELO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000103478192 250156960 /nfs/dbraw/zinc/15/69/60/250156960.db2.gz XKDLLQSGZPQVLH-WMLDXEAASA-N 1 2 369.469 2.707 10 0 FFAELO c1ccc(Cc2noc(C[NH+]3CCC(Nc4cccnn4)CC3)n2)cc1 ZINC000106080623 250233505 /nfs/dbraw/zinc/23/35/05/250233505.db2.gz YXIBFOCNXJHAEU-UHFFFAOYSA-N 1 2 350.426 2.527 10 0 FFAELO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000106155849 250242851 /nfs/dbraw/zinc/24/28/51/250242851.db2.gz KSQJTEKLEJGHKX-GOSISDBHSA-N 1 2 369.513 2.572 10 0 FFAELO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000106155849 250242854 /nfs/dbraw/zinc/24/28/54/250242854.db2.gz KSQJTEKLEJGHKX-GOSISDBHSA-N 1 2 369.513 2.572 10 0 FFAELO Cc1nc(CN2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3C)CC2)no1 ZINC000106147322 250243047 /nfs/dbraw/zinc/24/30/47/250243047.db2.gz KSZMAGCDRZDEOD-MRXNPFEDSA-N 1 2 371.485 2.530 10 0 FFAELO Cc1nc(CN2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3C)CC2)no1 ZINC000106147322 250243051 /nfs/dbraw/zinc/24/30/51/250243051.db2.gz KSZMAGCDRZDEOD-MRXNPFEDSA-N 1 2 371.485 2.530 10 0 FFAELO Cn1cc(CN2CCC[N@H+](Cc3coc(-c4cccc(F)c4)n3)CC2)cn1 ZINC000106155080 250243225 /nfs/dbraw/zinc/24/32/25/250243225.db2.gz JJYUSKPSBIDBKH-UHFFFAOYSA-N 1 2 369.444 2.922 10 0 FFAELO Cn1cc(CN2CCC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)CC2)cn1 ZINC000106155080 250243228 /nfs/dbraw/zinc/24/32/28/250243228.db2.gz JJYUSKPSBIDBKH-UHFFFAOYSA-N 1 2 369.444 2.922 10 0 FFAELO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000106155358 250243390 /nfs/dbraw/zinc/24/33/90/250243390.db2.gz HSLDDFVUHLOBPH-GOSISDBHSA-N 1 2 369.513 2.572 10 0 FFAELO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000106155358 250243395 /nfs/dbraw/zinc/24/33/95/250243395.db2.gz HSLDDFVUHLOBPH-GOSISDBHSA-N 1 2 369.513 2.572 10 0 FFAELO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)n1 ZINC000106178115 250249778 /nfs/dbraw/zinc/24/97/78/250249778.db2.gz MHBJEAYVKHAJBI-GOSISDBHSA-N 1 2 366.469 2.781 10 0 FFAELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)n1 ZINC000106178115 250249785 /nfs/dbraw/zinc/24/97/85/250249785.db2.gz MHBJEAYVKHAJBI-GOSISDBHSA-N 1 2 366.469 2.781 10 0 FFAELO Cc1cc(C)n(C[C@H]2CN(Cc3[nH+]ccn3Cc3ccccc3)CCO2)n1 ZINC000106200614 250253484 /nfs/dbraw/zinc/25/34/84/250253484.db2.gz LWTSSLJIDUSZOW-HXUWFJFHSA-N 1 2 365.481 2.646 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3Oc4ccccc4[C@H]3C)CC2)s1 ZINC000117799116 250363134 /nfs/dbraw/zinc/36/31/34/250363134.db2.gz PIBKDDUKOQRPIG-FZKQIMNGSA-N 1 2 357.479 2.660 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CSc3ccccc32)CC1 ZINC000118344556 250383074 /nfs/dbraw/zinc/38/30/74/250383074.db2.gz JMMNPEOVBQWARH-SFHVURJKSA-N 1 2 370.522 2.571 10 0 FFAELO Cc1ccc2[nH+]c3c(n2c1)[C@@H](c1cnc(-c2ccccn2)nc1)CC(=O)NC3 ZINC000065384568 221208887 /nfs/dbraw/zinc/20/88/87/221208887.db2.gz PPASQEDZYRVPPC-OAHLLOKOSA-N 1 2 370.416 2.647 10 0 FFAELO Cc1cc2sc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)nc2cc1F ZINC000286652012 257047834 /nfs/dbraw/zinc/04/78/34/257047834.db2.gz FKYPMVUQBAFFBM-KGLIPLIRSA-N 1 2 364.446 2.681 10 0 FFAELO Cc1cc2sc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)nc2cc1F ZINC000286652012 257047835 /nfs/dbraw/zinc/04/78/35/257047835.db2.gz FKYPMVUQBAFFBM-KGLIPLIRSA-N 1 2 364.446 2.681 10 0 FFAELO Cc1cccc(NC(=O)CCNc2[nH+]cnc3c2cnn3-c2ccccc2)n1 ZINC000301115360 258026307 /nfs/dbraw/zinc/02/63/07/258026307.db2.gz UHCUROHXELSFDS-UHFFFAOYSA-N 1 2 373.420 2.960 10 0 FFAELO Cc1csc([C@@H]2CCCN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)C2)n1 ZINC000301335509 258043521 /nfs/dbraw/zinc/04/35/21/258043521.db2.gz CSBAEWYXYXWPJD-CABCVRRESA-N 1 2 359.499 2.587 10 0 FFAELO Cc1csc([C@@H]2CCCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)n1 ZINC000301335509 258043522 /nfs/dbraw/zinc/04/35/22/258043522.db2.gz CSBAEWYXYXWPJD-CABCVRRESA-N 1 2 359.499 2.587 10 0 FFAELO COc1cccc2c1[nH+]cc(C)c2N1CCCN(Cc2noc(C)n2)CC1 ZINC000302666984 258107475 /nfs/dbraw/zinc/10/74/75/258107475.db2.gz QINOGRMTXZOAPA-UHFFFAOYSA-N 1 2 367.453 2.956 10 0 FFAELO C[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CCN1c1ccccc1F ZINC000302822716 258111949 /nfs/dbraw/zinc/11/19/49/258111949.db2.gz FGBITXGCPXTFKW-OAHLLOKOSA-N 1 2 373.501 2.884 10 0 FFAELO C[C@@H]1CN(c2cc(N3CCSCC3)nc[nH+]2)CCN1c1ccccc1F ZINC000302822716 258111950 /nfs/dbraw/zinc/11/19/50/258111950.db2.gz FGBITXGCPXTFKW-OAHLLOKOSA-N 1 2 373.501 2.884 10 0 FFAELO Cn1ncc2c1nc(N[C@@H]1CCCc3c1cnn3Cc1ccccc1)[nH+]c2N ZINC000302866750 258112706 /nfs/dbraw/zinc/11/27/06/258112706.db2.gz YXRBJIGBKPXOFU-MRXNPFEDSA-N 1 2 374.452 2.680 10 0 FFAELO CCOC(=O)c1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302919486 258114805 /nfs/dbraw/zinc/11/48/05/258114805.db2.gz YMLCMMALUFOVIH-UHFFFAOYSA-N 1 2 358.467 2.819 10 0 FFAELO CCOC(=O)c1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302919486 258114806 /nfs/dbraw/zinc/11/48/06/258114806.db2.gz YMLCMMALUFOVIH-UHFFFAOYSA-N 1 2 358.467 2.819 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)cs1 ZINC000328633866 258116697 /nfs/dbraw/zinc/11/66/97/258116697.db2.gz BEJYQXMGAPVVBA-OAHLLOKOSA-N 1 2 364.515 2.775 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)cs1 ZINC000328633866 258116698 /nfs/dbraw/zinc/11/66/98/258116698.db2.gz BEJYQXMGAPVVBA-OAHLLOKOSA-N 1 2 364.515 2.775 10 0 FFAELO COc1ccc2c(c1)C[C@H](C(=O)N1CC[NH2+][C@H](c3cccc(F)c3)C1)CO2 ZINC000328658979 258117042 /nfs/dbraw/zinc/11/70/42/258117042.db2.gz RYQXXYOMGREHHK-LPHOPBHVSA-N 1 2 370.424 2.559 10 0 FFAELO Cc1[nH]nc2nc(C)cc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)c12 ZINC000328662985 258117163 /nfs/dbraw/zinc/11/71/63/258117163.db2.gz XRQVJSFPEIXFPD-MRXNPFEDSA-N 1 2 353.401 2.501 10 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/nfs/dbraw/zinc/12/37/50/258123750.db2.gz YUCZACKOEXXMAP-GJZGRUSLSA-N 1 2 361.829 2.540 10 0 FFAELO CC[C@@H]1CN(C(=O)c2cc(-c3cccs3)on2)C[C@H]1[NH+]1CCOCC1 ZINC000329746851 258146323 /nfs/dbraw/zinc/14/63/23/258146323.db2.gz SACOSRUKFRJYGT-UKRRQHHQSA-N 1 2 361.467 2.586 10 0 FFAELO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1[C@@H]3c4ccccc4C[C@H]13)CCC2 ZINC000332694117 258240281 /nfs/dbraw/zinc/24/02/81/258240281.db2.gz WCXVBYZMQNZSTG-JCHJZTRSSA-N 1 2 350.466 2.954 10 0 FFAELO O=C(N[C@@H]1CCOC2(CCSCC2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000333201815 258255899 /nfs/dbraw/zinc/25/58/99/258255899.db2.gz ZMEVLNJPLNQCFS-CVEARBPZSA-N 1 2 364.515 2.502 10 0 FFAELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000333224039 258256927 /nfs/dbraw/zinc/25/69/27/258256927.db2.gz FKIDMHQCUNQCKA-HNNXBMFYSA-N 1 2 354.410 2.601 10 0 FFAELO COc1ccc2c(c1)NC(=O)[C@@H](C[NH+]1CCOCC1)C(c1ccccc1)=N2 ZINC000100898537 222256426 /nfs/dbraw/zinc/25/64/26/222256426.db2.gz QRQMLYSSYDWYIK-KRWDZBQOSA-N 1 2 365.433 2.717 10 0 FFAELO CC(C)c1noc([C@H]2CCCC[N@@H+]2Cc2cc(=O)n3ccccc3n2)n1 ZINC000065286335 506282898 /nfs/dbraw/zinc/28/28/98/506282898.db2.gz DLICERVGAAQIFQ-OAHLLOKOSA-N 1 2 353.426 2.928 10 0 FFAELO CC(C)c1noc([C@H]2CCCC[N@H+]2Cc2cc(=O)n3ccccc3n2)n1 ZINC000065286335 506282903 /nfs/dbraw/zinc/28/29/03/506282903.db2.gz DLICERVGAAQIFQ-OAHLLOKOSA-N 1 2 353.426 2.928 10 0 FFAELO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000046263220 507107233 /nfs/dbraw/zinc/10/72/33/507107233.db2.gz VMSUKSUSZGQKMX-UONOGXRCSA-N 1 2 362.499 2.719 10 0 FFAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(F)cc2Cl)CC1 ZINC000107063991 507834466 /nfs/dbraw/zinc/83/44/66/507834466.db2.gz IXEJTUBHVGDLTO-LBPRGKRZSA-N 1 2 370.852 2.711 10 0 FFAELO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)cc2Cl)CC1 ZINC000107063991 507834468 /nfs/dbraw/zinc/83/44/68/507834468.db2.gz IXEJTUBHVGDLTO-LBPRGKRZSA-N 1 2 370.852 2.711 10 0 FFAELO CCOC(=O)C[C@@H](C)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000089693928 507856810 /nfs/dbraw/zinc/85/68/10/507856810.db2.gz LLUMCXYFJPJJAV-HUUCEWRRSA-N 1 2 358.442 2.822 10 0 FFAELO C[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000089772775 507864846 /nfs/dbraw/zinc/86/48/46/507864846.db2.gz HKVXTHDLEUNDOD-HNNXBMFYSA-N 1 2 358.405 2.944 10 0 FFAELO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)no1 ZINC000109092244 507938407 /nfs/dbraw/zinc/93/84/07/507938407.db2.gz LPQOCBTUERFDPR-NWDGAFQWSA-N 1 2 364.396 2.564 10 0 FFAELO CC(C)Cc1nc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cs1 ZINC000109645439 507975114 /nfs/dbraw/zinc/97/51/14/507975114.db2.gz MYFDNCDWQCYAHI-SFHVURJKSA-N 1 2 373.522 2.833 10 0 FFAELO O=C(c1nccc2ccccc21)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000109644273 507975125 /nfs/dbraw/zinc/97/51/25/507975125.db2.gz DUUHROCHGDBOQW-HXUWFJFHSA-N 1 2 361.445 2.726 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cccc4c3OCO4)CC2)cs1 ZINC000109650938 507975849 /nfs/dbraw/zinc/97/58/49/507975849.db2.gz OBIZIBGTRXXNSK-UHFFFAOYSA-N 1 2 359.451 2.528 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cccc4c3OCO4)CC2)cs1 ZINC000109650938 507975852 /nfs/dbraw/zinc/97/58/52/507975852.db2.gz OBIZIBGTRXXNSK-UHFFFAOYSA-N 1 2 359.451 2.528 10 0 FFAELO O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110224940 508014763 /nfs/dbraw/zinc/01/47/63/508014763.db2.gz VDJJTMZHGPMSLS-UHFFFAOYSA-N 1 2 356.857 2.899 10 0 FFAELO CCOc1ccccc1C(=O)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110232485 508015266 /nfs/dbraw/zinc/01/52/66/508015266.db2.gz LTGFALURRVGMNV-UHFFFAOYSA-N 1 2 352.438 2.715 10 0 FFAELO COC(=O)c1ccc(N2CCN(c3cc[nH+]c(C4CC4)n3)[C@H](C)C2)cc1 ZINC000110411776 508026615 /nfs/dbraw/zinc/02/66/15/508026615.db2.gz CHVDTCXIKHCUEP-CQSZACIVSA-N 1 2 352.438 2.856 10 0 FFAELO CCOC(=O)c1cc(CC)sc1NC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000111284924 508085728 /nfs/dbraw/zinc/08/57/28/508085728.db2.gz LVYJCZOOHIQBJM-LBPRGKRZSA-N 1 2 368.499 2.519 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H](C)c3cccc(O)c3)CC2)s1 ZINC000112459293 508187736 /nfs/dbraw/zinc/18/77/36/508187736.db2.gz VRZIGNZENWMRCL-ZDUSSCGKSA-N 1 2 360.483 2.746 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)NC(=O)CC1CCCCC1)C2 ZINC000112664863 508207369 /nfs/dbraw/zinc/20/73/69/508207369.db2.gz SFHMBIINNUSZNO-HNNXBMFYSA-N 1 2 374.529 2.903 10 0 FFAELO C[C@@H](NC(=O)NCc1cccc(CO)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470925 508210344 /nfs/dbraw/zinc/21/03/44/508210344.db2.gz NCHKZQLBUAAZNE-OAHLLOKOSA-N 1 2 350.422 2.925 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000101565242 508246945 /nfs/dbraw/zinc/24/69/45/508246945.db2.gz SMPIUPHPVHGTSH-CQSZACIVSA-N 1 2 369.412 2.607 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000101565242 508246947 /nfs/dbraw/zinc/24/69/47/508246947.db2.gz SMPIUPHPVHGTSH-CQSZACIVSA-N 1 2 369.412 2.607 10 0 FFAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000083562313 508248256 /nfs/dbraw/zinc/24/82/56/508248256.db2.gz NCNRVLNLUPCMCL-OAHLLOKOSA-N 1 2 351.414 2.644 10 0 FFAELO CNC(=O)c1cccc(C[NH+]2CCN(c3nc4cc(C)ccc4o3)CC2)c1 ZINC000113932436 508286207 /nfs/dbraw/zinc/28/62/07/508286207.db2.gz ZNMDEGMWDJTNFF-UHFFFAOYSA-N 1 2 364.449 2.818 10 0 FFAELO C[C@H](CNC(=O)c1cccc(COc2cccc(F)c2)c1)[NH+]1CCOCC1 ZINC000114317439 508304219 /nfs/dbraw/zinc/30/42/19/508304219.db2.gz BZCDJVSQSFFQSG-MRXNPFEDSA-N 1 2 372.440 2.855 10 0 FFAELO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104791661 508347003 /nfs/dbraw/zinc/34/70/03/508347003.db2.gz MPHMCSGAMXWVLD-GOEBONIOSA-N 1 2 374.510 2.809 10 0 FFAELO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104791661 508347004 /nfs/dbraw/zinc/34/70/04/508347004.db2.gz MPHMCSGAMXWVLD-GOEBONIOSA-N 1 2 374.510 2.809 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cnc(-c2ccccc2F)s1 ZINC000114857927 508354485 /nfs/dbraw/zinc/35/44/85/508354485.db2.gz FCUIKVBZNURUKK-CYBMUJFWSA-N 1 2 361.442 2.542 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cnc(-c2ccccc2F)s1 ZINC000114857927 508354487 /nfs/dbraw/zinc/35/44/87/508354487.db2.gz FCUIKVBZNURUKK-CYBMUJFWSA-N 1 2 361.442 2.542 10 0 FFAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Br)cc1Cl ZINC000114855330 508354644 /nfs/dbraw/zinc/35/46/44/508354644.db2.gz UMMAZFZCDOVKJR-LBPRGKRZSA-N 1 2 373.678 2.696 10 0 FFAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(Br)cc1Cl ZINC000114855330 508354647 /nfs/dbraw/zinc/35/46/47/508354647.db2.gz UMMAZFZCDOVKJR-LBPRGKRZSA-N 1 2 373.678 2.696 10 0 FFAELO CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC[C@@H]3O)c[nH+]2)CC1 ZINC000077771875 508370822 /nfs/dbraw/zinc/37/08/22/508370822.db2.gz YBRHNKOCZQBFHQ-ROUUACIJSA-N 1 2 360.502 2.668 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2(c3ccccc3C)CC2)CC1 ZINC000115389433 508390752 /nfs/dbraw/zinc/39/07/52/508390752.db2.gz SJLYIBLVVAKTKG-UHFFFAOYSA-N 1 2 366.509 2.721 10 0 FFAELO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106070161 508391818 /nfs/dbraw/zinc/39/18/18/508391818.db2.gz ICRXJTUJKZLIMA-UHFFFAOYSA-N 1 2 359.861 2.589 10 0 FFAELO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106070161 508391820 /nfs/dbraw/zinc/39/18/20/508391820.db2.gz ICRXJTUJKZLIMA-UHFFFAOYSA-N 1 2 359.861 2.589 10 0 FFAELO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081489 508392387 /nfs/dbraw/zinc/39/23/87/508392387.db2.gz QOUWLIAYXGSKLA-UHFFFAOYSA-N 1 2 359.861 2.953 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)s1 ZINC000106091414 508393070 /nfs/dbraw/zinc/39/30/70/508393070.db2.gz WFILSMICHFXQQG-HNNXBMFYSA-N 1 2 370.522 2.547 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)s1 ZINC000106091605 508393099 /nfs/dbraw/zinc/39/30/99/508393099.db2.gz SCQBYZAMUUKPLD-HOTGVXAUSA-N 1 2 372.538 2.835 10 0 FFAELO CC(C)(C)n1cc(CN2CC[NH+](Cc3cccc4c3OCCO4)CC2)cn1 ZINC000106144252 508396476 /nfs/dbraw/zinc/39/64/76/508396476.db2.gz OBTMEKUWTPCEBZ-UHFFFAOYSA-N 1 2 370.497 2.727 10 0 FFAELO CC(C)(C)n1cc(C[NH+]2CCN(Cc3cccc4c3OCCO4)CC2)cn1 ZINC000106144252 508396477 /nfs/dbraw/zinc/39/64/77/508396477.db2.gz OBTMEKUWTPCEBZ-UHFFFAOYSA-N 1 2 370.497 2.727 10 0 FFAELO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)cc1 ZINC000106203978 508398017 /nfs/dbraw/zinc/39/80/17/508398017.db2.gz MSDZOWUPQZWOGS-XLIONFOSSA-N 1 2 370.497 2.790 10 0 FFAELO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)cc1 ZINC000106203978 508398018 /nfs/dbraw/zinc/39/80/18/508398018.db2.gz MSDZOWUPQZWOGS-XLIONFOSSA-N 1 2 370.497 2.790 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H](O)COc1ccc(Cl)cc1)C2 ZINC000106373817 508400121 /nfs/dbraw/zinc/40/01/21/508400121.db2.gz QFMRRDNYBDFIGA-HNNXBMFYSA-N 1 2 363.889 2.995 10 0 FFAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C2 ZINC000106373817 508400122 /nfs/dbraw/zinc/40/01/22/508400122.db2.gz QFMRRDNYBDFIGA-HNNXBMFYSA-N 1 2 363.889 2.995 10 0 FFAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C2 ZINC000106373817 508400123 /nfs/dbraw/zinc/40/01/23/508400123.db2.gz QFMRRDNYBDFIGA-HNNXBMFYSA-N 1 2 363.889 2.995 10 0 FFAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(Cl)ccc1Br ZINC000127393614 508444118 /nfs/dbraw/zinc/44/41/18/508444118.db2.gz DMSPVAHCMZSAEZ-LBPRGKRZSA-N 1 2 373.678 2.696 10 0 FFAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(Cl)ccc1Br ZINC000127393614 508444123 /nfs/dbraw/zinc/44/41/23/508444123.db2.gz DMSPVAHCMZSAEZ-LBPRGKRZSA-N 1 2 373.678 2.696 10 0 FFAELO COc1ccc(C[C@@H](C)C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000133764968 508446661 /nfs/dbraw/zinc/44/66/61/508446661.db2.gz NKWKCRFQOJPPPQ-OAHLLOKOSA-N 1 2 373.522 2.983 10 0 FFAELO Cc1c(/C=C/C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cnn1C ZINC000156595035 508446962 /nfs/dbraw/zinc/44/69/62/508446962.db2.gz HFORUPBVDHNWQL-LKGOPFMKSA-N 1 2 353.401 2.520 10 0 FFAELO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000121983328 508462152 /nfs/dbraw/zinc/46/21/52/508462152.db2.gz WAWRZHOORVTCAT-PMACEKPBSA-N 1 2 360.498 2.776 10 0 FFAELO CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000121983328 508462153 /nfs/dbraw/zinc/46/21/53/508462153.db2.gz WAWRZHOORVTCAT-PMACEKPBSA-N 1 2 360.498 2.776 10 0 FFAELO Cc1cnn(CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000152618533 508480231 /nfs/dbraw/zinc/48/02/31/508480231.db2.gz PSAWHVIXIMDSGC-RBUKOAKNSA-N 1 2 364.453 2.616 10 0 FFAELO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152898615 508529569 /nfs/dbraw/zinc/52/95/69/508529569.db2.gz DCNAJGDEVPPFPS-QGZVFWFLSA-N 1 2 370.497 2.620 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@@H]1C ZINC000117286254 508589476 /nfs/dbraw/zinc/58/94/76/508589476.db2.gz XULZGLRIHWBXEQ-KRWDZBQOSA-N 1 2 366.461 2.710 10 0 FFAELO COCC[N@H+]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@@H]1C ZINC000117286254 508589481 /nfs/dbraw/zinc/58/94/81/508589481.db2.gz XULZGLRIHWBXEQ-KRWDZBQOSA-N 1 2 366.461 2.710 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000117292485 508589502 /nfs/dbraw/zinc/58/95/02/508589502.db2.gz TWSDVNGBIAAEKC-CYBMUJFWSA-N 1 2 363.458 2.742 10 0 FFAELO COCC[N@H+]1CCN(C(=O)c2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000117292485 508589507 /nfs/dbraw/zinc/58/95/07/508589507.db2.gz TWSDVNGBIAAEKC-CYBMUJFWSA-N 1 2 363.458 2.742 10 0 FFAELO CC[C@@H]1CN(C(=O)c2sccc2Br)CC[N@@H+]1CCOC ZINC000117306126 508591534 /nfs/dbraw/zinc/59/15/34/508591534.db2.gz CSHYVHAWZSFQSN-LLVKDONJSA-N 1 2 361.305 2.693 10 0 FFAELO CC[C@@H]1CN(C(=O)c2sccc2Br)CC[N@H+]1CCOC ZINC000117306126 508591535 /nfs/dbraw/zinc/59/15/35/508591535.db2.gz CSHYVHAWZSFQSN-LLVKDONJSA-N 1 2 361.305 2.693 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(F)c(Cl)c2)nc[nH+]1 ZINC000128490651 508600781 /nfs/dbraw/zinc/60/07/81/508600781.db2.gz DNNUEQXNNSABQJ-GFCCVEGCSA-N 1 2 363.824 2.710 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(F)c(Cl)c2)[nH+]cn1 ZINC000128490651 508600784 /nfs/dbraw/zinc/60/07/84/508600784.db2.gz DNNUEQXNNSABQJ-GFCCVEGCSA-N 1 2 363.824 2.710 10 0 FFAELO Cc1ccc(N2CCC(NC(=O)c3cccc(-n4ccnc4)c3)CC2)[nH+]c1 ZINC000157843035 508620923 /nfs/dbraw/zinc/62/09/23/508620923.db2.gz AXBXKKXAWAQUFD-UHFFFAOYSA-N 1 2 361.449 2.975 10 0 FFAELO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000123275762 508661802 /nfs/dbraw/zinc/66/18/02/508661802.db2.gz NQBWZIWQMHBROC-IAGOWNOFSA-N 1 2 372.538 2.855 10 0 FFAELO Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(Sc2ccccc2)n1 ZINC000136232675 508680846 /nfs/dbraw/zinc/68/08/46/508680846.db2.gz OTFAIEKXYRQOEZ-HNNXBMFYSA-N 1 2 357.479 2.602 10 0 FFAELO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(Sc2ccccc2)n1 ZINC000136232675 508680849 /nfs/dbraw/zinc/68/08/49/508680849.db2.gz OTFAIEKXYRQOEZ-HNNXBMFYSA-N 1 2 357.479 2.602 10 0 FFAELO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123520571 508699622 /nfs/dbraw/zinc/69/96/22/508699622.db2.gz FXBOMGOXVGUKDA-SFHVURJKSA-N 1 2 373.497 2.797 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2sc(C)nc2CC(C)C)C[C@H]1C ZINC000119026842 508708781 /nfs/dbraw/zinc/70/87/81/508708781.db2.gz DIBANLHSLMGJKI-CQSZACIVSA-N 1 2 353.532 2.833 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2sc(C)nc2CC(C)C)C[C@H]1C ZINC000119026842 508708785 /nfs/dbraw/zinc/70/87/85/508708785.db2.gz DIBANLHSLMGJKI-CQSZACIVSA-N 1 2 353.532 2.833 10 0 FFAELO COc1ccc(C[C@@H](C)CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000129623356 508747645 /nfs/dbraw/zinc/74/76/45/508747645.db2.gz JUHKBMKURODPPJ-NVXWUHKLSA-N 1 2 356.470 2.737 10 0 FFAELO COc1ccc(C[C@@H](C)CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000129623356 508747648 /nfs/dbraw/zinc/74/76/48/508747648.db2.gz JUHKBMKURODPPJ-NVXWUHKLSA-N 1 2 356.470 2.737 10 0 FFAELO CS[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000129747054 508761695 /nfs/dbraw/zinc/76/16/95/508761695.db2.gz PVCRSDUJHMSYFJ-MJBXVCDLSA-N 1 2 357.545 2.561 10 0 FFAELO CS[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000129747054 508761700 /nfs/dbraw/zinc/76/17/00/508761700.db2.gz PVCRSDUJHMSYFJ-MJBXVCDLSA-N 1 2 357.545 2.561 10 0 FFAELO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1)c1ccccc1 ZINC000124726477 508876015 /nfs/dbraw/zinc/87/60/15/508876015.db2.gz SRDVWTRMYRRKJE-PXNSSMCTSA-N 1 2 369.465 2.719 10 0 FFAELO CNC(=O)[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(C)o1)c1ccccc1 ZINC000124726477 508876021 /nfs/dbraw/zinc/87/60/21/508876021.db2.gz SRDVWTRMYRRKJE-PXNSSMCTSA-N 1 2 369.465 2.719 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+](CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000155156499 508936333 /nfs/dbraw/zinc/93/63/33/508936333.db2.gz YGLZSBNYIKIHCZ-QGZVFWFLSA-N 1 2 366.527 2.540 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000155156499 508936335 /nfs/dbraw/zinc/93/63/35/508936335.db2.gz YGLZSBNYIKIHCZ-QGZVFWFLSA-N 1 2 366.527 2.540 10 0 FFAELO COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120244940 508957887 /nfs/dbraw/zinc/95/78/87/508957887.db2.gz FOEXZDZKNMWIOH-PYUISTEWSA-N 1 2 367.449 2.701 10 0 FFAELO CC1(C)C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c2ccccc2O1 ZINC000121039313 509115901 /nfs/dbraw/zinc/11/59/01/509115901.db2.gz FBLDUEHBEBGPNX-AEFFLSMTSA-N 1 2 373.497 2.795 10 0 FFAELO CC(=O)Nc1ccccc1C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000121491995 509176797 /nfs/dbraw/zinc/17/67/97/509176797.db2.gz XVEDQZWSMFCLFF-UHFFFAOYSA-N 1 2 369.513 2.914 10 0 FFAELO CC(=O)Nc1ccccc1CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000121491995 509176798 /nfs/dbraw/zinc/17/67/98/509176798.db2.gz XVEDQZWSMFCLFF-UHFFFAOYSA-N 1 2 369.513 2.914 10 0 FFAELO CCOc1cc(C)nc(N2CC[NH+](Cc3cccc(OC)c3OC)CC2)n1 ZINC000121529650 509177684 /nfs/dbraw/zinc/17/76/84/509177684.db2.gz BFVLERGAIJJXDC-UHFFFAOYSA-N 1 2 372.469 2.523 10 0 FFAELO O[C@]12CCCC[C@H]1C[N@H+](Cc1nc(COc3ccc(F)cc3)no1)CC2 ZINC000247956365 509199436 /nfs/dbraw/zinc/19/94/36/509199436.db2.gz FQQCALAVTFDQOR-LIRRHRJNSA-N 1 2 361.417 2.915 10 0 FFAELO O[C@]12CCCC[C@H]1C[N@@H+](Cc1nc(COc3ccc(F)cc3)no1)CC2 ZINC000247956365 509199447 /nfs/dbraw/zinc/19/94/47/509199447.db2.gz FQQCALAVTFDQOR-LIRRHRJNSA-N 1 2 361.417 2.915 10 0 FFAELO CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172752842 509213358 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C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1c(F)cccc1Cl ZINC000176162734 509354872 /nfs/dbraw/zinc/35/48/72/509354872.db2.gz ZHDGOWQPRSNLTM-CHWSQXEVSA-N 1 2 355.841 2.656 10 0 FFAELO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182679828 509368098 /nfs/dbraw/zinc/36/80/98/509368098.db2.gz HHWZHJYQTPPXRZ-HUUCEWRRSA-N 1 2 354.376 2.954 10 0 FFAELO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182679828 509368107 /nfs/dbraw/zinc/36/81/07/509368107.db2.gz HHWZHJYQTPPXRZ-HUUCEWRRSA-N 1 2 354.376 2.954 10 0 FFAELO C[C@H]1C(=O)NCCC[N@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000189082359 509401674 /nfs/dbraw/zinc/40/16/74/509401674.db2.gz MYUSKWFPZBHTAU-INIZCTEOSA-N 1 2 354.498 2.939 10 0 FFAELO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000189082359 509401679 /nfs/dbraw/zinc/40/16/79/509401679.db2.gz MYUSKWFPZBHTAU-INIZCTEOSA-N 1 2 354.498 2.939 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000248630056 509401994 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2.745 10 0 FFAELO FC(F)COCC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000189197675 509459052 /nfs/dbraw/zinc/45/90/52/509459052.db2.gz CMGGLLBKQWZAEC-UHFFFAOYSA-N 1 2 351.397 2.741 10 0 FFAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176421539 509500493 /nfs/dbraw/zinc/50/04/93/509500493.db2.gz JRXJAQBJRBULBN-MRXNPFEDSA-N 1 2 364.453 2.558 10 0 FFAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000186064223 509506829 /nfs/dbraw/zinc/50/68/29/509506829.db2.gz YBOLTHCPPKDXPA-AWEZNQCLSA-N 1 2 368.462 2.642 10 0 FFAELO Cc1ccc(C(=O)CCC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1 ZINC000173292428 509509500 /nfs/dbraw/zinc/50/95/00/509509500.db2.gz UPQOKTKNSFBAST-FQEVSTJZSA-N 1 2 371.525 2.586 10 0 FFAELO Cn1cc(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)cn1 ZINC000186126367 509535059 /nfs/dbraw/zinc/53/50/59/509535059.db2.gz SKSUNSMMOQSLPD-MRXNPFEDSA-N 1 2 358.243 2.852 10 0 FFAELO COC(=O)c1csc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000183018599 509550313 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2.550 10 0 FFAELO Cn1cc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@H]2CCC=CO2)cn1 ZINC000249045308 509583709 /nfs/dbraw/zinc/58/37/09/509583709.db2.gz VWNBBQADEHGFBB-SJORKVTESA-N 1 2 362.474 2.707 10 0 FFAELO Cn1cc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@H]2CCC=CO2)cn1 ZINC000249045308 509583715 /nfs/dbraw/zinc/58/37/15/509583715.db2.gz VWNBBQADEHGFBB-SJORKVTESA-N 1 2 362.474 2.707 10 0 FFAELO COc1cccc(C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)c1 ZINC000176561732 509585005 /nfs/dbraw/zinc/58/50/05/509585005.db2.gz XWYOXMMEADYHDX-KRWDZBQOSA-N 1 2 360.479 2.868 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C(C)(C)c2cccs2)nc[nH+]1 ZINC000173418307 509585970 /nfs/dbraw/zinc/58/59/70/509585970.db2.gz VDQQKCNNLXNNLE-CYBMUJFWSA-N 1 2 359.499 2.643 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C(C)(C)c2cccs2)[nH+]cn1 ZINC000173418307 509585974 /nfs/dbraw/zinc/58/59/74/509585974.db2.gz VDQQKCNNLXNNLE-CYBMUJFWSA-N 1 2 359.499 2.643 10 0 FFAELO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000179831344 509641312 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2.933 10 0 FFAELO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C)C2)c1 ZINC000246138737 510315418 /nfs/dbraw/zinc/31/54/18/510315418.db2.gz NJMWAJHYCOWVLE-LSDHHAIUSA-N 1 2 363.527 2.933 10 0 FFAELO Cc1cnn([C@@H]2CCC[N@@H+]([C@H]3CCN(c4c(F)cccc4F)C3=O)C2)c1 ZINC000246177319 510339536 /nfs/dbraw/zinc/33/95/36/510339536.db2.gz GLZHDJBVMUSPFL-PBHICJAKSA-N 1 2 360.408 2.912 10 0 FFAELO Cc1cnn([C@@H]2CCC[N@H+]([C@H]3CCN(c4c(F)cccc4F)C3=O)C2)c1 ZINC000246177319 510339540 /nfs/dbraw/zinc/33/95/40/510339540.db2.gz GLZHDJBVMUSPFL-PBHICJAKSA-N 1 2 360.408 2.912 10 0 FFAELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000171750059 510347847 /nfs/dbraw/zinc/34/78/47/510347847.db2.gz LAJPHOGWXZCXEI-AZUAARDMSA-N 1 2 366.465 2.529 10 0 FFAELO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000171750060 510348008 /nfs/dbraw/zinc/34/80/08/510348008.db2.gz BCYZOMIHSIOOCB-INIZCTEOSA-N 1 2 360.498 2.973 10 0 FFAELO CCn1cc([C@H]2C[N@H+](Cc3cc(=O)oc4c(C)c(O)ccc34)CCO2)cn1 ZINC000190804571 510351657 /nfs/dbraw/zinc/35/16/57/510351657.db2.gz WFNGJODPDDKLBA-GOSISDBHSA-N 1 2 369.421 2.597 10 0 FFAELO CCn1cc([C@H]2C[N@@H+](Cc3cc(=O)oc4c(C)c(O)ccc34)CCO2)cn1 ZINC000190804571 510351662 /nfs/dbraw/zinc/35/16/62/510351662.db2.gz WFNGJODPDDKLBA-GOSISDBHSA-N 1 2 369.421 2.597 10 0 FFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2ccc(NC=O)cc2)c2cccs2)CCO1 ZINC000177979337 510356148 /nfs/dbraw/zinc/35/61/48/510356148.db2.gz KZRSWTIXFNVKOV-PBHICJAKSA-N 1 2 373.478 2.508 10 0 FFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2ccc(NC=O)cc2)c2cccs2)CCO1 ZINC000177979337 510356153 /nfs/dbraw/zinc/35/61/53/510356153.db2.gz KZRSWTIXFNVKOV-PBHICJAKSA-N 1 2 373.478 2.508 10 0 FFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)c2ccc(F)cc2O)c2cccs2)CCO1 ZINC000246246924 510386367 /nfs/dbraw/zinc/38/63/67/510386367.db2.gz IQHNFVUFHUNMQD-SWLSCSKDSA-N 1 2 364.442 2.785 10 0 FFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)c2ccc(F)cc2O)c2cccs2)CCO1 ZINC000246246924 510386372 /nfs/dbraw/zinc/38/63/72/510386372.db2.gz IQHNFVUFHUNMQD-SWLSCSKDSA-N 1 2 364.442 2.785 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCCOCC(F)(F)F)C2 ZINC000171867700 510419371 /nfs/dbraw/zinc/41/93/71/510419371.db2.gz XRLLBGHYSGCLOY-UHFFFAOYSA-N 1 2 362.396 2.580 10 0 FFAELO CC[C@@H](CSC)NC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000181467000 510425390 /nfs/dbraw/zinc/42/53/90/510425390.db2.gz ZYKUQHPZQNWYAQ-AWEZNQCLSA-N 1 2 356.561 2.810 10 0 FFAELO CC[C@@H](CSC)NC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000181467000 510425396 /nfs/dbraw/zinc/42/53/96/510425396.db2.gz ZYKUQHPZQNWYAQ-AWEZNQCLSA-N 1 2 356.561 2.810 10 0 FFAELO Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246328892 510429394 /nfs/dbraw/zinc/42/93/94/510429394.db2.gz DNPOEZKCIDUVFO-HKUYNNGSSA-N 1 2 359.514 2.709 10 0 FFAELO Cc1ccc([C@H](CNC(=O)N2CCSC[C@H]2C)[NH+]2CCOCC2)s1 ZINC000175013364 510437111 /nfs/dbraw/zinc/43/71/11/510437111.db2.gz GPPMXXRJMYZJGD-HIFRSBDPSA-N 1 2 369.556 2.577 10 0 FFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)Nc2nccs2)c2cccs2)CCO1 ZINC000175027120 510445473 /nfs/dbraw/zinc/44/54/73/510445473.db2.gz IXNSULDVLWZMCD-RYUDHWBXSA-N 1 2 352.485 2.788 10 0 FFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)Nc2nccs2)c2cccs2)CCO1 ZINC000175027120 510445477 /nfs/dbraw/zinc/44/54/77/510445477.db2.gz IXNSULDVLWZMCD-RYUDHWBXSA-N 1 2 352.485 2.788 10 0 FFAELO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)n1[C@H](C)c1ccccc1 ZINC000194612714 510445817 /nfs/dbraw/zinc/44/58/17/510445817.db2.gz VMXXURPXCADUKJ-VQIMIIECSA-N 1 2 355.482 2.775 10 0 FFAELO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)n1[C@H](C)c1ccccc1 ZINC000194612714 510445821 /nfs/dbraw/zinc/44/58/21/510445821.db2.gz VMXXURPXCADUKJ-VQIMIIECSA-N 1 2 355.482 2.775 10 0 FFAELO CCCOc1c(Cl)cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1OCC ZINC000194635457 510457401 /nfs/dbraw/zinc/45/74/01/510457401.db2.gz TUKWKYMZKXHIAM-AWEZNQCLSA-N 1 2 370.877 2.588 10 0 FFAELO CCCOc1c(Cl)cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1OCC ZINC000194635457 510457406 /nfs/dbraw/zinc/45/74/06/510457406.db2.gz TUKWKYMZKXHIAM-AWEZNQCLSA-N 1 2 370.877 2.588 10 0 FFAELO C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccccc1Br ZINC000191024722 510471588 /nfs/dbraw/zinc/47/15/88/510471588.db2.gz WEVHBFHVXVLFHQ-QMMMGPOBSA-N 1 2 364.169 2.849 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1C ZINC000175241345 510547841 /nfs/dbraw/zinc/54/78/41/510547841.db2.gz DJHLDBGBXBYIME-NSHDSACASA-N 1 2 361.269 2.882 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1C ZINC000175241345 510547846 /nfs/dbraw/zinc/54/78/46/510547846.db2.gz DJHLDBGBXBYIME-NSHDSACASA-N 1 2 361.269 2.882 10 0 FFAELO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)c(O)c1 ZINC000191251371 510570060 /nfs/dbraw/zinc/57/00/60/510570060.db2.gz JBKVOOULTZMWDM-UHFFFAOYSA-N 1 2 356.470 2.519 10 0 FFAELO CCc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(CC)c3)CC2)c(O)c1 ZINC000191251371 510570063 /nfs/dbraw/zinc/57/00/63/510570063.db2.gz JBKVOOULTZMWDM-UHFFFAOYSA-N 1 2 356.470 2.519 10 0 FFAELO COCCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)cn1 ZINC000191303033 510594566 /nfs/dbraw/zinc/59/45/66/510594566.db2.gz GFRYLQDKWCNFHV-INIZCTEOSA-N 1 2 362.499 2.503 10 0 FFAELO COCCN(C)c1ccc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)cn1 ZINC000191303033 510594571 /nfs/dbraw/zinc/59/45/71/510594571.db2.gz GFRYLQDKWCNFHV-INIZCTEOSA-N 1 2 362.499 2.503 10 0 FFAELO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000172213344 510603060 /nfs/dbraw/zinc/60/30/60/510603060.db2.gz VWSKUVCYNBXAPX-MRXNPFEDSA-N 1 2 373.526 2.842 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)OCC(F)(F)F ZINC000175355868 510605695 /nfs/dbraw/zinc/60/56/95/510605695.db2.gz BXSOGUDGWNWAFJ-LLVKDONJSA-N 1 2 352.378 2.752 10 0 FFAELO CN(C)C(=O)c1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246680095 510614079 /nfs/dbraw/zinc/61/40/79/510614079.db2.gz LTOWHCJEJLHUQV-APWZRJJASA-N 1 2 360.404 2.975 10 0 FFAELO CN(C)C(=O)c1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246680095 510614085 /nfs/dbraw/zinc/61/40/85/510614085.db2.gz LTOWHCJEJLHUQV-APWZRJJASA-N 1 2 360.404 2.975 10 0 FFAELO COc1ccccc1COC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000246736231 510643660 /nfs/dbraw/zinc/64/36/60/510643660.db2.gz OCIRAGAITYSCLC-XLIONFOSSA-N 1 2 361.438 2.548 10 0 FFAELO COc1ccccc1COC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000246736231 510643668 /nfs/dbraw/zinc/64/36/68/510643668.db2.gz OCIRAGAITYSCLC-XLIONFOSSA-N 1 2 361.438 2.548 10 0 FFAELO CCCCO[C@H](C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246763560 510660274 /nfs/dbraw/zinc/66/02/74/510660274.db2.gz IHZMMIXFDFLZLP-ARFHVFGLSA-N 1 2 354.516 2.831 10 0 FFAELO CCCCO[C@H](C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246763560 510660279 /nfs/dbraw/zinc/66/02/79/510660279.db2.gz IHZMMIXFDFLZLP-ARFHVFGLSA-N 1 2 354.516 2.831 10 0 FFAELO CC(C)n1cc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000188241112 510665253 /nfs/dbraw/zinc/66/52/53/510665253.db2.gz JGPJPTMGDUGDHK-HOCLYGCPSA-N 1 2 362.499 2.717 10 0 FFAELO CC(C)n1cc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000188241112 510665259 /nfs/dbraw/zinc/66/52/59/510665259.db2.gz JGPJPTMGDUGDHK-HOCLYGCPSA-N 1 2 362.499 2.717 10 0 FFAELO Cc1cnccc1CNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000188281775 510686472 /nfs/dbraw/zinc/68/64/72/510686472.db2.gz AOAZDOZQUXHAOU-KRWDZBQOSA-N 1 2 374.510 2.666 10 0 FFAELO Cc1nnc([C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)[nH]1 ZINC000181991362 510696800 /nfs/dbraw/zinc/69/68/00/510696800.db2.gz IIDOOSYTNLKVML-JKSUJKDBSA-N 1 2 357.458 2.802 10 0 FFAELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(Cc3ccccc3C)no2)C1 ZINC000175625063 510699210 /nfs/dbraw/zinc/69/92/10/510699210.db2.gz BQVOYFOBPKUTCP-QGZVFWFLSA-N 1 2 366.469 2.960 10 0 FFAELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3C)no2)C1 ZINC000175625063 510699215 /nfs/dbraw/zinc/69/92/15/510699215.db2.gz BQVOYFOBPKUTCP-QGZVFWFLSA-N 1 2 366.469 2.960 10 0 FFAELO CCOC(=O)c1csc(C2CC[NH+](Cc3nnc(C)n3CC)CC2)n1 ZINC000191573310 510730975 /nfs/dbraw/zinc/73/09/75/510730975.db2.gz UJQRFBZNORKDIW-UHFFFAOYSA-N 1 2 363.487 2.619 10 0 FFAELO COCCC[C@H](C)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000182119307 510766937 /nfs/dbraw/zinc/76/69/37/510766937.db2.gz ABIBGQHRKZAMHT-GOEBONIOSA-N 1 2 354.516 2.609 10 0 FFAELO CCn1cc([C@H]2C[N@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)cn1 ZINC000191713771 510798143 /nfs/dbraw/zinc/79/81/43/510798143.db2.gz FMLACCQLDFBLBI-HXUWFJFHSA-N 1 2 351.454 2.721 10 0 FFAELO CCn1cc([C@H]2C[N@@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)cn1 ZINC000191713771 510798151 /nfs/dbraw/zinc/79/81/51/510798151.db2.gz FMLACCQLDFBLBI-HXUWFJFHSA-N 1 2 351.454 2.721 10 0 FFAELO CCCN(CC)c1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000247052234 510818058 /nfs/dbraw/zinc/81/80/58/510818058.db2.gz ZJIGXXMIFCOGAG-PXNSSMCTSA-N 1 2 359.514 2.716 10 0 FFAELO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000247054004 510819651 /nfs/dbraw/zinc/81/96/51/510819651.db2.gz VHYLNZXGAHFFKS-CGTJXYLNSA-N 1 2 358.486 2.921 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2cccc3c[nH]nc32)c2cccs2)CCO1 ZINC000247133809 510843229 /nfs/dbraw/zinc/84/32/29/510843229.db2.gz XTCFOYWJILXHDB-CZUORRHYSA-N 1 2 370.478 2.816 10 0 FFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2cccc3c[nH]nc32)c2cccs2)CCO1 ZINC000247133809 510843232 /nfs/dbraw/zinc/84/32/32/510843232.db2.gz XTCFOYWJILXHDB-CZUORRHYSA-N 1 2 370.478 2.816 10 0 FFAELO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000247233432 510853665 /nfs/dbraw/zinc/85/36/65/510853665.db2.gz XBXXHPWKDXMLFU-ZWOKBUDYSA-N 1 2 374.525 2.931 10 0 FFAELO CC(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)s1 ZINC000247493757 510863048 /nfs/dbraw/zinc/86/30/48/510863048.db2.gz ZUQGBFIVODEDSC-QWHCGFSZSA-N 1 2 364.471 2.781 10 0 FFAELO CC(C)c1nnc(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)s1 ZINC000247493757 510863049 /nfs/dbraw/zinc/86/30/49/510863049.db2.gz ZUQGBFIVODEDSC-QWHCGFSZSA-N 1 2 364.471 2.781 10 0 FFAELO C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247776757 510870188 /nfs/dbraw/zinc/87/01/88/510870188.db2.gz WXZCJKDODFOLOC-QMTHXVAHSA-N 1 2 359.373 2.572 10 0 FFAELO Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000279297639 511036369 /nfs/dbraw/zinc/03/63/69/511036369.db2.gz ZJOOXSLFPTWHGT-GOSISDBHSA-N 1 2 355.486 2.555 10 0 FFAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCO[C@H](c3cccc(F)c3)C1)CCC2 ZINC000332685084 511091179 /nfs/dbraw/zinc/09/11/79/511091179.db2.gz MCTJHOICTCPKPB-AEFFLSMTSA-N 1 2 372.444 2.991 10 0 FFAELO C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCCC[C@H]2O)[C@H]1c1ccc(F)c(F)c1 ZINC000332848531 511128502 /nfs/dbraw/zinc/12/85/02/511128502.db2.gz QTXVXEAENRJEMT-BRSBDYLESA-N 1 2 367.440 2.703 10 0 FFAELO C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCCC[C@H]2O)[C@H]1c1ccc(F)c(F)c1 ZINC000332848531 511128507 /nfs/dbraw/zinc/12/85/07/511128507.db2.gz QTXVXEAENRJEMT-BRSBDYLESA-N 1 2 367.440 2.703 10 0 FFAELO COc1cccc(C2CCN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)CC2)c1 ZINC000301224234 511688936 /nfs/dbraw/zinc/68/89/36/511688936.db2.gz CJMZRZYOJRRQJV-SFHVURJKSA-N 1 2 368.481 2.830 10 0 FFAELO COc1cccc(C2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)CC2)c1 ZINC000301224234 511688944 /nfs/dbraw/zinc/68/89/44/511688944.db2.gz CJMZRZYOJRRQJV-SFHVURJKSA-N 1 2 368.481 2.830 10 0 FFAELO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000296345960 511708183 /nfs/dbraw/zinc/70/81/83/511708183.db2.gz RMOFEARHOOOJON-TVQRCGJNSA-N 1 2 361.667 2.886 10 0 FFAELO C[C@H]1[C@H](O)CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000296345960 511708189 /nfs/dbraw/zinc/70/81/89/511708189.db2.gz RMOFEARHOOOJON-TVQRCGJNSA-N 1 2 361.667 2.886 10 0 FFAELO Cn1c[nH+]cc1[C@H]1C[C@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCO1 ZINC000328622621 511896422 /nfs/dbraw/zinc/89/64/22/511896422.db2.gz IOHHRVGYBZADJL-DGCLKSJQSA-N 1 2 360.487 3.154 10 0 FFAELO CCc1ncc(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)s1 ZINC000328633933 511901462 /nfs/dbraw/zinc/90/14/62/511901462.db2.gz SWNSQBNTAKOZBU-CQSZACIVSA-N 1 2 372.494 2.994 10 0 FFAELO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000408156581 513010770 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10 0 FFAELO COC(=O)c1cccc(C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000106145306 508396479 /nfs/dbraw/zinc/39/64/79/508396479.db2.gz AYYLEYRPBCEBQH-UHFFFAOYSA-N 1 2 370.497 2.743 10 0 FFAELO COC(=O)c1cccc(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000106145306 508396480 /nfs/dbraw/zinc/39/64/80/508396480.db2.gz AYYLEYRPBCEBQH-UHFFFAOYSA-N 1 2 370.497 2.743 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CCO2)c1 ZINC000106195382 508397564 /nfs/dbraw/zinc/39/75/64/508397564.db2.gz PMHNVWUHTOEUIS-INIZCTEOSA-N 1 2 355.360 2.991 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CCO2)c1 ZINC000106195382 508397565 /nfs/dbraw/zinc/39/75/65/508397565.db2.gz PMHNVWUHTOEUIS-INIZCTEOSA-N 1 2 355.360 2.991 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CCCc3occc32)CC1 ZINC000115652573 508421970 /nfs/dbraw/zinc/42/19/70/508421970.db2.gz RASWNMFUOMDSCO-GOSISDBHSA-N 1 2 371.485 2.535 10 0 FFAELO Cn1cc[nH+]c1CC1CCN(C(=O)c2c(O)cnc3ccccc32)CC1 ZINC000127286281 508427187 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FFAELO OC[C@H]1CCCN1c1cc(N[C@H]2CCCN(c3cccc(F)c3)C2)nc[nH+]1 ZINC000116264658 508492645 /nfs/dbraw/zinc/49/26/45/508492645.db2.gz NPFRAHIZQSEQDU-FUHWJXTLSA-N 1 2 371.460 2.658 10 0 FFAELO CCCOc1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1OCC ZINC000122250090 508506713 /nfs/dbraw/zinc/50/67/13/508506713.db2.gz YGFQFQDXNQFBKU-SFHVURJKSA-N 1 2 359.470 2.972 10 0 FFAELO CCCOc1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1OCC ZINC000122250090 508506715 /nfs/dbraw/zinc/50/67/15/508506715.db2.gz YGFQFQDXNQFBKU-SFHVURJKSA-N 1 2 359.470 2.972 10 0 FFAELO Cc1ccc(-n2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c(C(C)(C)C)n2)cc1 ZINC000128257903 508568767 /nfs/dbraw/zinc/56/87/67/508568767.db2.gz SBYAYZKNVNQHIT-QGZVFWFLSA-N 1 2 370.497 2.539 10 0 FFAELO Cc1ccc(-n2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c(C(C)(C)C)n2)cc1 ZINC000128257903 508568771 /nfs/dbraw/zinc/56/87/71/508568771.db2.gz SBYAYZKNVNQHIT-QGZVFWFLSA-N 1 2 370.497 2.539 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)CCO2)n1 ZINC000122666668 508569451 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GTKBQIVEKHIWTF-ZIFCJYIRSA-N 1 2 371.481 2.547 10 0 FFAELO O=C1[C@H]([NH+]2CCC(Nc3ccccc3F)CC2)CCN1CC(F)(F)F ZINC000129102036 508684281 /nfs/dbraw/zinc/68/42/81/508684281.db2.gz LTMJGORLMZNVKQ-OAHLLOKOSA-N 1 2 359.367 2.865 10 0 FFAELO C[C@@H](CNC(=O)CCCc1ccccc1Br)[NH+]1CCOCC1 ZINC000129393629 508721893 /nfs/dbraw/zinc/72/18/93/508721893.db2.gz ZEOMFMBDVBPBEA-AWEZNQCLSA-N 1 2 369.303 2.609 10 0 FFAELO Cc1ccc(Br)c(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000129415669 508724117 /nfs/dbraw/zinc/72/41/17/508724117.db2.gz DFULBFNCWLBHFM-ZDUSSCGKSA-N 1 2 368.275 2.696 10 0 FFAELO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000119099920 508726004 /nfs/dbraw/zinc/72/60/04/508726004.db2.gz LUNGTYSTOGHWRV-INIZCTEOSA-N 1 2 364.453 2.724 10 0 FFAELO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000119099920 508726007 /nfs/dbraw/zinc/72/60/07/508726007.db2.gz LUNGTYSTOGHWRV-INIZCTEOSA-N 1 2 364.453 2.724 10 0 FFAELO CCCCCc1nnc(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)s1 ZINC000136943656 508726834 /nfs/dbraw/zinc/72/68/34/508726834.db2.gz RREIBXQLEAUBRN-UHFFFAOYSA-N 1 2 362.503 2.812 10 0 FFAELO COC(=O)c1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000119139392 508733779 /nfs/dbraw/zinc/73/37/79/508733779.db2.gz ZKRNLRPNVIWZSI-UHFFFAOYSA-N 1 2 364.492 2.944 10 0 FFAELO COC(=O)c1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000119139392 508733782 /nfs/dbraw/zinc/73/37/82/508733782.db2.gz ZKRNLRPNVIWZSI-UHFFFAOYSA-N 1 2 364.492 2.944 10 0 FFAELO COc1c(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C)nn1C ZINC000158729864 508745946 /nfs/dbraw/zinc/74/59/46/508745946.db2.gz PDFOFSQUEZIJFV-UHFFFAOYSA-N 1 2 368.481 2.794 10 0 FFAELO COc1c(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C)nn1C ZINC000158729864 508745949 /nfs/dbraw/zinc/74/59/49/508745949.db2.gz PDFOFSQUEZIJFV-UHFFFAOYSA-N 1 2 368.481 2.794 10 0 FFAELO CC(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000119502300 508808082 /nfs/dbraw/zinc/80/80/82/508808082.db2.gz ZLZPYAFCOXTQQH-HKMNZKMDSA-N 1 2 366.465 2.873 10 0 FFAELO 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CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3F)sc2C1 ZINC000120592509 509028587 /nfs/dbraw/zinc/02/85/87/509028587.db2.gz GTPXFRLMSDJJHC-UHFFFAOYSA-N 1 2 359.423 2.600 10 0 FFAELO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3F)sc2C1 ZINC000120592509 509028588 /nfs/dbraw/zinc/02/85/88/509028588.db2.gz GTPXFRLMSDJJHC-UHFFFAOYSA-N 1 2 359.423 2.600 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000126699825 509115201 /nfs/dbraw/zinc/11/52/01/509115201.db2.gz ZLCKKQBEQMMKIH-XLIONFOSSA-N 1 2 371.456 2.739 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000126699825 509115204 /nfs/dbraw/zinc/11/52/04/509115204.db2.gz ZLCKKQBEQMMKIH-XLIONFOSSA-N 1 2 371.456 2.739 10 0 FFAELO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000121363499 509169718 /nfs/dbraw/zinc/16/97/18/509169718.db2.gz RGRHOFJFABBRSO-DYVFJYSZSA-N 1 2 374.872 2.523 10 0 FFAELO C[C@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000121376522 509170445 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FFAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2c(O)cnc3ccccc32)C1 ZINC000150923472 508923257 /nfs/dbraw/zinc/92/32/57/508923257.db2.gz BRZFWDXHTIPUIS-AWEZNQCLSA-N 1 2 350.422 2.769 10 0 FFAELO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000125076444 508927659 /nfs/dbraw/zinc/92/76/59/508927659.db2.gz HIXHWYDLIPBBDG-CJNGLKHVSA-N 1 2 367.287 2.550 10 0 FFAELO COCCOc1ccccc1CN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000120452843 509000050 /nfs/dbraw/zinc/00/00/50/509000050.db2.gz ZLLZGAQYWGZNIT-UHFFFAOYSA-N 1 2 361.511 2.795 10 0 FFAELO COCCOc1ccccc1C[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000120452843 509000054 /nfs/dbraw/zinc/00/00/54/509000054.db2.gz ZLLZGAQYWGZNIT-UHFFFAOYSA-N 1 2 361.511 2.795 10 0 FFAELO CC(=O)Nc1nc2ccc(NC(=O)[C@@H](C)[NH+]3CCSCC3)cc2s1 ZINC000151519236 509035711 /nfs/dbraw/zinc/03/57/11/509035711.db2.gz HNMFPQZJXGBKSE-SNVBAGLBSA-N 1 2 364.496 2.631 10 0 FFAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000155629905 509041310 /nfs/dbraw/zinc/04/13/10/509041310.db2.gz FYROMHUSVXDFNQ-BFUOFWGJSA-N 1 2 353.422 2.730 10 0 FFAELO CCCn1c(C)c(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c2cc(OC)ccc21 ZINC000151781051 509081779 /nfs/dbraw/zinc/08/17/79/509081779.db2.gz RHJOJEOVAQQXCR-OALUTQOASA-N 1 2 371.481 2.523 10 0 FFAELO CCCn1c(C)c(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cc(OC)ccc21 ZINC000151781051 509081781 /nfs/dbraw/zinc/08/17/81/509081781.db2.gz RHJOJEOVAQQXCR-OALUTQOASA-N 1 2 371.481 2.523 10 0 FFAELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)N1CCc2ccccc2C1 ZINC000120953780 509095734 /nfs/dbraw/zinc/09/57/34/509095734.db2.gz QWUAZIPZJNJAFC-YLJYHZDGSA-N 1 2 372.415 2.657 10 0 FFAELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)N1CCc2ccccc2C1 ZINC000120953780 509095739 /nfs/dbraw/zinc/09/57/39/509095739.db2.gz QWUAZIPZJNJAFC-YLJYHZDGSA-N 1 2 372.415 2.657 10 0 FFAELO CC(C)n1ncc2cc(CN3CC[C@@H]([NH+]4CCOCC4)C3)c(Cl)nc21 ZINC000120973105 509099913 /nfs/dbraw/zinc/09/99/13/509099913.db2.gz QWJHEWKGKBEHKS-MRXNPFEDSA-N 1 2 363.893 2.572 10 0 FFAELO C[C@@H]1C[NH+](Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C[C@@H](C)O1 ZINC000126988777 509156092 /nfs/dbraw/zinc/15/60/92/509156092.db2.gz XPPVJJKMSMZCKA-HZPDHXFCSA-N 1 2 368.905 2.660 10 0 FFAELO Cc1noc([C@@H](C)N2CCN(Cc3c[nH+]c(C)n3-c3ccccc3)CC2)n1 ZINC000121294659 509164155 /nfs/dbraw/zinc/16/41/55/509164155.db2.gz OJKRYQJWDPQVPD-OAHLLOKOSA-N 1 2 366.469 2.751 10 0 FFAELO CC(C)c1ncc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)s1 ZINC000127113702 509167483 /nfs/dbraw/zinc/16/74/83/509167483.db2.gz LBSNVPPREVKENN-HNNXBMFYSA-N 1 2 350.532 2.509 10 0 FFAELO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1S(C)(=O)=O ZINC000247918745 509191692 /nfs/dbraw/zinc/19/16/92/509191692.db2.gz BKMLISRCSCZLCQ-HKUYNNGSSA-N 1 2 372.490 2.574 10 0 FFAELO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1S(C)(=O)=O ZINC000247918745 509191704 /nfs/dbraw/zinc/19/17/04/509191704.db2.gz BKMLISRCSCZLCQ-HKUYNNGSSA-N 1 2 372.490 2.574 10 0 FFAELO CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000195503680 509196881 /nfs/dbraw/zinc/19/68/81/509196881.db2.gz PTRPKNAHSCIDEB-AWEZNQCLSA-N 1 2 354.454 2.829 10 0 FFAELO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505009 509197397 /nfs/dbraw/zinc/19/73/97/509197397.db2.gz KQABXZHVMDQSOG-LSDHHAIUSA-N 1 2 356.470 2.864 10 0 FFAELO COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)cc1F ZINC000195507704 509200603 /nfs/dbraw/zinc/20/06/03/509200603.db2.gz HHTHJAQSNCCRJO-CQSZACIVSA-N 1 2 374.460 2.784 10 0 FFAELO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172767261 509222053 /nfs/dbraw/zinc/22/20/53/509222053.db2.gz XVVDYMHTMUYAOR-STQMWFEESA-N 1 2 373.280 2.694 10 0 FFAELO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(S(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000248064240 509228675 /nfs/dbraw/zinc/22/86/75/509228675.db2.gz PODGBDHHLMVPIL-QZTJIDSGSA-N 1 2 373.478 2.657 10 0 FFAELO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(S(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000248064240 509228681 /nfs/dbraw/zinc/22/86/81/509228681.db2.gz PODGBDHHLMVPIL-QZTJIDSGSA-N 1 2 373.478 2.657 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248117694 509236759 /nfs/dbraw/zinc/23/67/59/509236759.db2.gz DGQCQNUBLAXCBK-NJZAAPMLSA-N 1 2 372.296 2.727 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248117694 509236766 /nfs/dbraw/zinc/23/67/66/509236766.db2.gz DGQCQNUBLAXCBK-NJZAAPMLSA-N 1 2 372.296 2.727 10 0 FFAELO O=S(=O)(c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1)C(F)F ZINC000248149492 509247999 /nfs/dbraw/zinc/24/79/99/509247999.db2.gz QPEAKPCHLQITHE-YOEHRIQHSA-N 1 2 359.438 2.810 10 0 FFAELO O=S(=O)(c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1)C(F)F ZINC000248149492 509248007 /nfs/dbraw/zinc/24/80/07/509248007.db2.gz QPEAKPCHLQITHE-YOEHRIQHSA-N 1 2 359.438 2.810 10 0 FFAELO COc1ccc2[nH+]c(N[C@@H]3CCCN(c4cc(C)nn4C)C3=O)ccc2c1 ZINC000172810139 509251997 /nfs/dbraw/zinc/25/19/97/509251997.db2.gz HFLSRGDSCYIPEY-QGZVFWFLSA-N 1 2 365.437 2.893 10 0 FFAELO O=C(NCCOc1cccc(C(F)(F)F)c1)[C@H]1CCCn2cc[nH+]c21 ZINC000176047701 509293453 /nfs/dbraw/zinc/29/34/53/509293453.db2.gz MXZAVYIWFJLNEN-AWEZNQCLSA-N 1 2 353.344 2.975 10 0 FFAELO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000172897832 509299233 /nfs/dbraw/zinc/29/92/33/509299233.db2.gz LEGRDMVCNLIQEZ-ZDUSSCGKSA-N 1 2 357.435 2.991 10 0 FFAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C1 ZINC000163386802 509370870 /nfs/dbraw/zinc/37/08/70/509370870.db2.gz JVCRUVWYMYMYDK-HNNXBMFYSA-N 1 2 361.877 2.801 10 0 FFAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C1 ZINC000163386802 509370877 /nfs/dbraw/zinc/37/08/77/509370877.db2.gz JVCRUVWYMYMYDK-HNNXBMFYSA-N 1 2 361.877 2.801 10 0 FFAELO CC[N@@H+]1CC[C@@H](NC(=O)NC2(CO)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248576004 509373349 /nfs/dbraw/zinc/37/33/49/509373349.db2.gz DOLKJAQIFONFQC-HZPDHXFCSA-N 1 2 369.868 2.829 10 0 FFAELO CC[N@H+]1CC[C@@H](NC(=O)NC2(CO)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248576004 509373354 /nfs/dbraw/zinc/37/33/54/509373354.db2.gz DOLKJAQIFONFQC-HZPDHXFCSA-N 1 2 369.868 2.829 10 0 FFAELO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179350478 509393407 /nfs/dbraw/zinc/39/34/07/509393407.db2.gz IVONSEHBHPQQPS-ROUUACIJSA-N 1 2 367.497 2.561 10 0 FFAELO Cc1cc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)nc(C(F)(F)F)n1 ZINC000189097742 509410306 /nfs/dbraw/zinc/41/03/06/509410306.db2.gz QYVXPMCEMJSELI-UHFFFAOYSA-N 1 2 365.359 2.551 10 0 FFAELO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000173157412 509427410 /nfs/dbraw/zinc/42/74/10/509427410.db2.gz JMGXULPSXPQNSE-MRXNPFEDSA-N 1 2 365.437 2.814 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1ccc3[nH]ccc3c1)C2 ZINC000182800117 509431185 /nfs/dbraw/zinc/43/11/85/509431185.db2.gz YLOVCBGFJJIVRV-UHFFFAOYSA-N 1 2 365.437 2.548 10 0 FFAELO COC(=O)C1CCC(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000179464629 509458561 /nfs/dbraw/zinc/45/85/61/509458561.db2.gz DFBLUWOBVKPGAU-UHFFFAOYSA-N 1 2 357.454 2.830 10 0 FFAELO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000164155692 509469753 /nfs/dbraw/zinc/46/97/53/509469753.db2.gz FQSYMHYUUAGAML-PXNSSMCTSA-N 1 2 354.454 2.709 10 0 FFAELO COC(=O)[C@@H](C(OC)OC)[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000248754527 509471815 /nfs/dbraw/zinc/47/18/15/509471815.db2.gz HRYAOSDQKFEDHT-OCCSQVGLSA-N 1 2 356.488 2.606 10 0 FFAELO COC(=O)[C@@H](C(OC)OC)[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000248754527 509471818 /nfs/dbraw/zinc/47/18/18/509471818.db2.gz HRYAOSDQKFEDHT-OCCSQVGLSA-N 1 2 356.488 2.606 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1COc2ccccc21 ZINC000176520094 509558117 /nfs/dbraw/zinc/55/81/17/509558117.db2.gz PBLHCVCLAYAUCO-IRXDYDNUSA-N 1 2 372.490 2.756 10 0 FFAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000249021365 509573765 /nfs/dbraw/zinc/57/37/65/509573765.db2.gz KDDMPEIMNYITEE-APWZRJJASA-N 1 2 371.525 2.858 10 0 FFAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000249021365 509573772 /nfs/dbraw/zinc/57/37/72/509573772.db2.gz KDDMPEIMNYITEE-APWZRJJASA-N 1 2 371.525 2.858 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C(C)(C)c2ccc(F)cc2)nc[nH+]1 ZINC000173412091 509582605 /nfs/dbraw/zinc/58/26/05/509582605.db2.gz QJHIHMJSMFTCDE-MRXNPFEDSA-N 1 2 371.460 2.720 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C(C)(C)c2ccc(F)cc2)[nH+]cn1 ZINC000173412091 509582613 /nfs/dbraw/zinc/58/26/13/509582613.db2.gz QJHIHMJSMFTCDE-MRXNPFEDSA-N 1 2 371.460 2.720 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(CCC(C)C)C2CC2)nc[nH+]1 ZINC000173420354 509586379 /nfs/dbraw/zinc/58/63/79/509586379.db2.gz HJCGUZIAPNYQKP-MRXNPFEDSA-N 1 2 360.506 2.707 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(CCC(C)C)C2CC2)[nH+]cn1 ZINC000173420354 509586388 /nfs/dbraw/zinc/58/63/88/509586388.db2.gz HJCGUZIAPNYQKP-MRXNPFEDSA-N 1 2 360.506 2.707 10 0 FFAELO CCc1sc(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cc1C ZINC000173424564 509590056 /nfs/dbraw/zinc/59/00/56/509590056.db2.gz KFLUMQJURFPHAC-ZDUSSCGKSA-N 1 2 359.499 2.849 10 0 FFAELO CCc1sc(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)cc1C ZINC000173424564 509590061 /nfs/dbraw/zinc/59/00/61/509590061.db2.gz KFLUMQJURFPHAC-ZDUSSCGKSA-N 1 2 359.499 2.849 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H](C)c3ccccc32)nc[nH+]1 ZINC000173427159 509591921 /nfs/dbraw/zinc/59/19/21/509591921.db2.gz WTGOETOGCITHSE-HUUCEWRRSA-N 1 2 366.469 2.820 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H](C)c3ccccc32)[nH+]cn1 ZINC000173427159 509591927 /nfs/dbraw/zinc/59/19/27/509591927.db2.gz WTGOETOGCITHSE-HUUCEWRRSA-N 1 2 366.469 2.820 10 0 FFAELO OC[C@H]1CCCN1c1cc(NCc2sccc2Br)[nH+]cn1 ZINC000264664047 509632240 /nfs/dbraw/zinc/63/22/40/509632240.db2.gz MNXGSBRQVBGUEZ-SNVBAGLBSA-N 1 2 369.288 2.874 10 0 FFAELO OC[C@H]1CCCN1c1cc(NCc2sccc2Br)nc[nH+]1 ZINC000264664047 509632247 /nfs/dbraw/zinc/63/22/47/509632247.db2.gz MNXGSBRQVBGUEZ-SNVBAGLBSA-N 1 2 369.288 2.874 10 0 FFAELO CC(C)n1cc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000249271619 509643933 /nfs/dbraw/zinc/64/39/33/509643933.db2.gz JGPJPTMGDUGDHK-GOEBONIOSA-N 1 2 362.499 2.717 10 0 FFAELO CC(C)n1cc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000249271619 509643941 /nfs/dbraw/zinc/64/39/41/509643941.db2.gz JGPJPTMGDUGDHK-GOEBONIOSA-N 1 2 362.499 2.717 10 0 FFAELO Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c(C)[nH+]1 ZINC000168185273 509644164 /nfs/dbraw/zinc/64/41/64/509644164.db2.gz JGUNGXQRRKGMEK-HNNXBMFYSA-N 1 2 365.355 2.927 10 0 FFAELO C[C@H]1CCCN(c2cc(N3CCCN(c4nccs4)CC3)nc[nH+]2)C1 ZINC000264710405 509660013 /nfs/dbraw/zinc/66/00/13/509660013.db2.gz SIWFTFUYQLVTPL-HNNXBMFYSA-N 1 2 358.515 2.886 10 0 FFAELO C[C@H]1CCCN(c2cc(N3CCCN(c4nccs4)CC3)[nH+]cn2)C1 ZINC000264710405 509660016 /nfs/dbraw/zinc/66/00/16/509660016.db2.gz SIWFTFUYQLVTPL-HNNXBMFYSA-N 1 2 358.515 2.886 10 0 FFAELO COc1ccnc(NC2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)n1 ZINC000192870409 509678690 /nfs/dbraw/zinc/67/86/90/509678690.db2.gz ZSPHGKZQXBTALJ-UHFFFAOYSA-N 1 2 366.425 2.612 10 0 FFAELO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173626937 509682991 /nfs/dbraw/zinc/68/29/91/509682991.db2.gz QTCLYWSMQMYSRN-KKUMJFAQSA-N 1 2 371.485 2.540 10 0 FFAELO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nnc2n1CCCC2 ZINC000173628211 509683699 /nfs/dbraw/zinc/68/36/99/509683699.db2.gz WMYMBJFFQXLGAO-DOMZBBRYSA-N 1 2 359.861 2.724 10 0 FFAELO COC(=O)Nc1cccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186388789 509684736 /nfs/dbraw/zinc/68/47/36/509684736.db2.gz CKHAJHGSMJAKKM-UHFFFAOYSA-N 1 2 354.410 2.612 10 0 FFAELO CC(C)(C)c1ncsc1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000176777221 509685451 /nfs/dbraw/zinc/68/54/51/509685451.db2.gz DBCVXWVBMPFDMW-INIZCTEOSA-N 1 2 373.522 2.932 10 0 FFAELO CCSCC[C@H](C)NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000173629878 509685496 /nfs/dbraw/zinc/68/54/96/509685496.db2.gz KITPWNBTTKXFTA-ZDUSSCGKSA-N 1 2 356.561 2.810 10 0 FFAELO O=C(c1ccc(C(F)(F)F)nc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186393780 509687760 /nfs/dbraw/zinc/68/77/60/509687760.db2.gz CEJZZWDZGSOENQ-UHFFFAOYSA-N 1 2 350.344 2.848 10 0 FFAELO CC[S@@](=O)c1ccccc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186395926 509688971 /nfs/dbraw/zinc/68/89/71/509688971.db2.gz WUANANHPLYPGAW-RUZDIDTESA-N 1 2 357.479 2.562 10 0 FFAELO Cc1nn(C(F)F)c(C)c1CC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186397118 509689299 /nfs/dbraw/zinc/68/92/99/509689299.db2.gz FJDVUDZLYGQYGM-UHFFFAOYSA-N 1 2 363.412 2.571 10 0 FFAELO CC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179964398 509691080 /nfs/dbraw/zinc/69/10/80/509691080.db2.gz JHJDIIWQSNSARN-UVBJJODRSA-N 1 2 357.857 2.637 10 0 FFAELO CC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179964398 509691083 /nfs/dbraw/zinc/69/10/83/509691083.db2.gz JHJDIIWQSNSARN-UVBJJODRSA-N 1 2 357.857 2.637 10 0 FFAELO CCCN(CCC)C(=O)CCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186417613 509698916 /nfs/dbraw/zinc/69/89/16/509698916.db2.gz PDMDAUNOWILDDY-UHFFFAOYSA-N 1 2 360.502 2.549 10 0 FFAELO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000249537962 509705296 /nfs/dbraw/zinc/70/52/96/509705296.db2.gz DBDBPBUDGKCEOA-IXDGSTSKSA-N 1 2 372.490 2.986 10 0 FFAELO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000249537962 509705303 /nfs/dbraw/zinc/70/53/03/509705303.db2.gz DBDBPBUDGKCEOA-IXDGSTSKSA-N 1 2 372.490 2.986 10 0 FFAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249586901 509718792 /nfs/dbraw/zinc/71/87/92/509718792.db2.gz UDMJCGGXWLDMIY-OWQGQXMQSA-N 1 2 372.490 2.986 10 0 FFAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249586901 509718806 /nfs/dbraw/zinc/71/88/06/509718806.db2.gz UDMJCGGXWLDMIY-OWQGQXMQSA-N 1 2 372.490 2.986 10 0 FFAELO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccccc1 ZINC000189744209 509729249 /nfs/dbraw/zinc/72/92/49/509729249.db2.gz FNNNPZYIKKVQLR-CVEARBPZSA-N 1 2 367.497 2.675 10 0 FFAELO COc1ccc(CN(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000249720043 509741848 /nfs/dbraw/zinc/74/18/48/509741848.db2.gz LNZFFQKYQORDAN-WOJBJXKFSA-N 1 2 358.482 2.830 10 0 FFAELO COc1ccc(CN(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000249720043 509741854 /nfs/dbraw/zinc/74/18/54/509741854.db2.gz LNZFFQKYQORDAN-WOJBJXKFSA-N 1 2 358.482 2.830 10 0 FFAELO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173731050 509743009 /nfs/dbraw/zinc/74/30/09/509743009.db2.gz QJWLXGSWVQUBQP-LBPRGKRZSA-N 1 2 359.373 2.755 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000176893576 509748408 /nfs/dbraw/zinc/74/84/08/509748408.db2.gz BEPAHIRANBYNSZ-RKNYENMMSA-N 1 2 351.447 2.557 10 0 FFAELO CCc1cnc(CCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)s1 ZINC000186520602 509750662 /nfs/dbraw/zinc/75/06/62/509750662.db2.gz ALDFGBNNVZLKQJ-UHFFFAOYSA-N 1 2 359.499 2.565 10 0 FFAELO C[C@@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000186559342 509771156 /nfs/dbraw/zinc/77/11/56/509771156.db2.gz YUULKGXGDKKGID-APWZRJJASA-N 1 2 360.473 2.718 10 0 FFAELO O=C(NCc1ccccc1OC1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173779888 509772505 /nfs/dbraw/zinc/77/25/05/509772505.db2.gz IYNZVHLQTXGUNL-GOSISDBHSA-N 1 2 373.497 2.624 10 0 FFAELO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173781194 509774317 /nfs/dbraw/zinc/77/43/17/509774317.db2.gz LDMHLULFOOOSFW-GOSISDBHSA-N 1 2 358.486 2.534 10 0 FFAELO Cc1[nH]nc2nc(C)cc(C(=O)N3CCc4c([nH+]c(C(C)C)n4C)C3)c12 ZINC000264920525 509774856 /nfs/dbraw/zinc/77/48/56/509774856.db2.gz RRLJMIHIXXKBEY-UHFFFAOYSA-N 1 2 352.442 2.630 10 0 FFAELO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000173795049 509782965 /nfs/dbraw/zinc/78/29/65/509782965.db2.gz PPABLGKMNHNUMQ-SJORKVTESA-N 1 2 351.878 2.907 10 0 FFAELO O=C(Nc1ccc(F)cc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173800889 509786246 /nfs/dbraw/zinc/78/62/46/509786246.db2.gz YCADTYDMTHSCIK-LBPRGKRZSA-N 1 2 372.238 2.527 10 0 FFAELO CCSc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173814341 509794108 /nfs/dbraw/zinc/79/41/08/509794108.db2.gz OIONNRCZRILKSH-RDJZCZTQSA-N 1 2 363.527 2.976 10 0 FFAELO C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173837729 509807790 /nfs/dbraw/zinc/80/77/90/509807790.db2.gz PTVAGVRLDNJHEM-LPHOPBHVSA-N 1 2 360.473 2.817 10 0 FFAELO C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000173837997 509808540 /nfs/dbraw/zinc/80/85/40/509808540.db2.gz AYQVASRRPCTLHW-ZBFHGGJFSA-N 1 2 357.479 2.603 10 0 FFAELO CC(C)Oc1ccc(Cl)cc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173865310 509824055 /nfs/dbraw/zinc/82/40/55/509824055.db2.gz KTMVFIDPJZDPLI-WMLDXEAASA-N 1 2 366.889 2.920 10 0 FFAELO Cc1csc([C@H]2C[N@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)n1 ZINC000177033506 509828916 /nfs/dbraw/zinc/82/89/16/509828916.db2.gz VIVKQBWTBRUKSB-OAHLLOKOSA-N 1 2 364.446 2.575 10 0 FFAELO Cc1csc([C@H]2C[N@@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)n1 ZINC000177033506 509828921 /nfs/dbraw/zinc/82/89/21/509828921.db2.gz VIVKQBWTBRUKSB-OAHLLOKOSA-N 1 2 364.446 2.575 10 0 FFAELO C[C@@H]1CN(C(=O)c2cc(Cl)cc3cccnc32)C[C@H]1[NH+]1CCOCC1 ZINC000173876864 509829607 /nfs/dbraw/zinc/82/96/07/509829607.db2.gz AHCTUKLOPGATTM-CXAGYDPISA-N 1 2 359.857 2.681 10 0 FFAELO Cc1nc(-c2ccccc2)c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)s1 ZINC000173883345 509834793 /nfs/dbraw/zinc/83/47/93/509834793.db2.gz FIQPDPOVVYWZEO-YOEHRIQHSA-N 1 2 371.506 2.911 10 0 FFAELO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000252465287 509836934 /nfs/dbraw/zinc/83/69/34/509836934.db2.gz PUPYGALUMWBZHI-FUHIMQAGSA-N 1 2 374.525 2.931 10 0 FFAELO O=C(NCCc1csc2ccccc12)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173892008 509838870 /nfs/dbraw/zinc/83/88/70/509838870.db2.gz POKRXXZGOJZTSX-MRXNPFEDSA-N 1 2 359.495 2.560 10 0 FFAELO CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173894792 509840826 /nfs/dbraw/zinc/84/08/26/509840826.db2.gz CDUDUKBMTWVLGS-UXHICEINSA-N 1 2 359.514 2.904 10 0 FFAELO C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(-n2cc[nH+]c2)c1 ZINC000173917036 509852817 /nfs/dbraw/zinc/85/28/17/509852817.db2.gz GUMZOFVRDGWFFD-CYBMUJFWSA-N 1 2 362.389 2.694 10 0 FFAELO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173941077 509865979 /nfs/dbraw/zinc/86/59/79/509865979.db2.gz FRPRYDSLDQKJLQ-MAUKXSAKSA-N 1 2 354.454 2.841 10 0 FFAELO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)[C@@H](c2ccccc2)C1 ZINC000245198234 509880087 /nfs/dbraw/zinc/88/00/87/509880087.db2.gz HRRIROKXSDWXNK-MRXNPFEDSA-N 1 2 365.886 2.554 10 0 FFAELO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)[C@@H](c2ccccc2)C1 ZINC000245198234 509880091 /nfs/dbraw/zinc/88/00/91/509880091.db2.gz HRRIROKXSDWXNK-MRXNPFEDSA-N 1 2 365.886 2.554 10 0 FFAELO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173987522 509890874 /nfs/dbraw/zinc/89/08/74/509890874.db2.gz DVHASVXYMPXJGP-OCCSQVGLSA-N 1 2 372.296 2.727 10 0 FFAELO CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2cc[nH+]c2)C[C@H]2CCCC[C@@H]21 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CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000134102671 508492708 /nfs/dbraw/zinc/49/27/08/508492708.db2.gz ZHBLKOLWAHGDSR-QAPCUYQASA-N 1 2 369.469 2.632 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1ccc(O)cc1 ZINC000134118466 508495236 /nfs/dbraw/zinc/49/52/36/508495236.db2.gz NXPBSLZKYCSJLO-KRWDZBQOSA-N 1 2 360.479 2.528 10 0 FFAELO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000156984554 508506004 /nfs/dbraw/zinc/50/60/04/508506004.db2.gz XQFIUMJWDLGENR-AWEZNQCLSA-N 1 2 374.872 2.556 10 0 FFAELO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000156984412 508506467 /nfs/dbraw/zinc/50/64/67/508506467.db2.gz XQFIUMJWDLGENR-CQSZACIVSA-N 1 2 374.872 2.556 10 0 FFAELO Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)n2)cc1 ZINC000152741261 508506452 /nfs/dbraw/zinc/50/64/52/508506452.db2.gz VUMYJXUBJRSJKK-INIZCTEOSA-N 1 2 371.510 2.569 10 0 FFAELO Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[N@H+]4CCCC[C@H]4C3)n2)cc1 ZINC000152741261 508506454 /nfs/dbraw/zinc/50/64/54/508506454.db2.gz VUMYJXUBJRSJKK-INIZCTEOSA-N 1 2 371.510 2.569 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H](C)c3ccccn3)CC2)cs1 ZINC000116416317 508510557 /nfs/dbraw/zinc/51/05/57/508510557.db2.gz WDZZYARPTRPOBG-CQSZACIVSA-N 1 2 359.499 2.825 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H](C)c3ccccn3)CC2)cs1 ZINC000116416317 508510560 /nfs/dbraw/zinc/51/05/60/508510560.db2.gz WDZZYARPTRPOBG-CQSZACIVSA-N 1 2 359.499 2.825 10 0 FFAELO Cc1csc([C@@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)n1 ZINC000157126091 508526640 /nfs/dbraw/zinc/52/66/40/508526640.db2.gz VREHPTUYAMLPLJ-HNNXBMFYSA-N 1 2 374.466 2.563 10 0 FFAELO Cc1csc([C@@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)n1 ZINC000157126091 508526641 /nfs/dbraw/zinc/52/66/41/508526641.db2.gz VREHPTUYAMLPLJ-HNNXBMFYSA-N 1 2 374.466 2.563 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(C)c3)CCO2)c1 ZINC000122422080 508533181 /nfs/dbraw/zinc/53/31/81/508533181.db2.gz ZYEVWKNZUAMZQX-LJQANCHMSA-N 1 2 351.454 2.791 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(C)c3)CCO2)c1 ZINC000122422080 508533184 /nfs/dbraw/zinc/53/31/84/508533184.db2.gz ZYEVWKNZUAMZQX-LJQANCHMSA-N 1 2 351.454 2.791 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)c(F)c(C)c2)nc[nH+]1 ZINC000122717854 508577370 /nfs/dbraw/zinc/57/73/70/508577370.db2.gz RMNQPUMZFQJOOO-OAHLLOKOSA-N 1 2 357.433 2.673 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)c(F)c(C)c2)[nH+]cn1 ZINC000122717854 508577371 /nfs/dbraw/zinc/57/73/71/508577371.db2.gz RMNQPUMZFQJOOO-OAHLLOKOSA-N 1 2 357.433 2.673 10 0 FFAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)NCCc1cccc2cccnc21 ZINC000153497226 508589222 /nfs/dbraw/zinc/58/92/22/508589222.db2.gz FIYVQRXZAQVVCK-OALUTQOASA-N 1 2 353.466 2.537 10 0 FFAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)NCCc1cccc2cccnc21 ZINC000153497226 508589227 /nfs/dbraw/zinc/58/92/27/508589227.db2.gz FIYVQRXZAQVVCK-OALUTQOASA-N 1 2 353.466 2.537 10 0 FFAELO CCCc1c(C(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)[nH]c(C)c1C(C)=O ZINC000117307906 508591183 /nfs/dbraw/zinc/59/11/83/508591183.db2.gz WLRGQRCGEWSVPL-INIZCTEOSA-N 1 2 363.502 2.661 10 0 FFAELO CCCc1c(C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)[nH]c(C)c1C(C)=O ZINC000117307906 508591187 /nfs/dbraw/zinc/59/11/87/508591187.db2.gz WLRGQRCGEWSVPL-INIZCTEOSA-N 1 2 363.502 2.661 10 0 FFAELO C[C@H](CNC(=O)Nc1ccnc(Oc2ccccc2)c1)[NH+]1CCOCC1 ZINC000118890839 508690890 /nfs/dbraw/zinc/69/08/90/508690890.db2.gz JPMCFVVOJYSSLU-OAHLLOKOSA-N 1 2 356.426 2.716 10 0 FFAELO CCOc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000137001091 508731965 /nfs/dbraw/zinc/73/19/65/508731965.db2.gz OUQFXCIQZRLSMS-MRXNPFEDSA-N 1 2 361.467 2.944 10 0 FFAELO CCOc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000137001091 508731968 /nfs/dbraw/zinc/73/19/68/508731968.db2.gz OUQFXCIQZRLSMS-MRXNPFEDSA-N 1 2 361.467 2.944 10 0 FFAELO Cc1nnc([C@@H]2C[N@H+](CCCC(=O)Nc3c(C)cc(C)cc3C)CCO2)[nH]1 ZINC000137710043 508763065 /nfs/dbraw/zinc/76/30/65/508763065.db2.gz WTTAGRQXYXIMCP-KRWDZBQOSA-N 1 2 371.485 2.831 10 0 FFAELO Cc1nnc([C@@H]2C[N@@H+](CCCC(=O)Nc3c(C)cc(C)cc3C)CCO2)[nH]1 ZINC000137710043 508763069 /nfs/dbraw/zinc/76/30/69/508763069.db2.gz WTTAGRQXYXIMCP-KRWDZBQOSA-N 1 2 371.485 2.831 10 0 FFAELO Cc1ccc([C@@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)o1 ZINC000159173445 508803199 /nfs/dbraw/zinc/80/31/99/508803199.db2.gz HJFAKQKPDRSHGE-KRWDZBQOSA-N 1 2 357.410 2.700 10 0 FFAELO Cc1ccc([C@@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)o1 ZINC000159173445 508803204 /nfs/dbraw/zinc/80/32/04/508803204.db2.gz HJFAKQKPDRSHGE-KRWDZBQOSA-N 1 2 357.410 2.700 10 0 FFAELO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCSC2)[NH+]2CCOCC2)s1 ZINC000125762588 509026325 /nfs/dbraw/zinc/02/63/25/509026325.db2.gz OCHOAYZHECPQMN-CABCVRRESA-N 1 2 369.556 2.577 10 0 FFAELO O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)[C@@H]1CSC[NH2+]1 ZINC000160845564 509039128 /nfs/dbraw/zinc/03/91/28/509039128.db2.gz KDEFUDWFZHTZMM-BXKMTCNYSA-N 1 2 360.504 2.737 10 0 FFAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000155629791 509041440 /nfs/dbraw/zinc/04/14/40/509041440.db2.gz FYROMHUSVXDFNQ-YJYMSZOUSA-N 1 2 353.422 2.730 10 0 FFAELO C[C@H](NC(=O)N1CCOC2(CCOCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000120954730 509096781 /nfs/dbraw/zinc/09/67/81/509096781.db2.gz IEXXXVPRZNZNOJ-INIZCTEOSA-N 1 2 370.453 2.524 10 0 FFAELO Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c2)n1 ZINC000121253507 509158029 /nfs/dbraw/zinc/15/80/29/509158029.db2.gz NTSWCLRIWFEUOF-KRWDZBQOSA-N 1 2 370.453 2.897 10 0 FFAELO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)c(OC)c1 ZINC000195504983 509197200 /nfs/dbraw/zinc/19/72/00/509197200.db2.gz LXMYYETXQRGYGF-CYBMUJFWSA-N 1 2 358.442 2.634 10 0 FFAELO COc1ccc(CN(C(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)C2CC2)cc1 ZINC000195505897 509199532 /nfs/dbraw/zinc/19/95/32/509199532.db2.gz LIXBCANKSIRYMO-UHFFFAOYSA-N 1 2 368.481 2.789 10 0 FFAELO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2S(C)(=O)=O)[C@H]1c1ccccc1 ZINC000247964170 509201359 /nfs/dbraw/zinc/20/13/59/509201359.db2.gz DIYJPXMXYASFBX-SJLPKXTDSA-N 1 2 373.478 2.657 10 0 FFAELO C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2S(C)(=O)=O)[C@H]1c1ccccc1 ZINC000247964170 509201364 /nfs/dbraw/zinc/20/13/64/509201364.db2.gz DIYJPXMXYASFBX-SJLPKXTDSA-N 1 2 373.478 2.657 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)C[C@@](C)(O)c3ccccc3)CC2)cs1 ZINC000182389890 509210153 /nfs/dbraw/zinc/21/01/53/509210153.db2.gz UKIBRZVXQKUSFN-HXUWFJFHSA-N 1 2 373.522 2.784 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)C[C@@](C)(O)c3ccccc3)CC2)cs1 ZINC000182389890 509210159 /nfs/dbraw/zinc/21/01/59/509210159.db2.gz UKIBRZVXQKUSFN-HXUWFJFHSA-N 1 2 373.522 2.784 10 0 FFAELO CC(C)Cc1ccc(C(=O)CCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000172753554 509214579 /nfs/dbraw/zinc/21/45/79/509214579.db2.gz SNISTGVURIXQSI-HXUWFJFHSA-N 1 2 372.509 2.781 10 0 FFAELO Cc1ccc(C)n1-c1sccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172766778 509222823 /nfs/dbraw/zinc/22/28/23/509222823.db2.gz ULEZVXUVHIQROS-MRXNPFEDSA-N 1 2 359.495 2.702 10 0 FFAELO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCN(c4cnn(C)c4)C3)[nH+]cn2)C1 ZINC000172771008 509225545 /nfs/dbraw/zinc/22/55/45/509225545.db2.gz UADMHLYAVNXFDW-HZPDHXFCSA-N 1 2 355.490 2.527 10 0 FFAELO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCN(c4cnn(C)c4)C3)nc[nH+]2)C1 ZINC000172771008 509225552 /nfs/dbraw/zinc/22/55/52/509225552.db2.gz UADMHLYAVNXFDW-HZPDHXFCSA-N 1 2 355.490 2.527 10 0 FFAELO COc1cc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c2ccccc2n1 ZINC000172775754 509227331 /nfs/dbraw/zinc/22/73/31/509227331.db2.gz SEDKVJGPWHEGNL-HNNXBMFYSA-N 1 2 365.437 2.607 10 0 FFAELO COc1cc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c2ccccc2n1 ZINC000172775754 509227340 /nfs/dbraw/zinc/22/73/40/509227340.db2.gz SEDKVJGPWHEGNL-HNNXBMFYSA-N 1 2 365.437 2.607 10 0 FFAELO Cc1ccc([C@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)CCO2)o1 ZINC000179087151 509257125 /nfs/dbraw/zinc/25/71/25/509257125.db2.gz NLQVMUIUWGBOBY-GOSISDBHSA-N 1 2 370.453 2.866 10 0 FFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)N(C)Cc2ccco2)c2cccs2)CCO1 ZINC000248367723 509277732 /nfs/dbraw/zinc/27/77/32/509277732.db2.gz UJJFSJUNVZZQQS-GOEBONIOSA-N 1 2 363.483 2.945 10 0 FFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)N(C)Cc2ccco2)c2cccs2)CCO1 ZINC000248367723 509277736 /nfs/dbraw/zinc/27/77/36/509277736.db2.gz UJJFSJUNVZZQQS-GOEBONIOSA-N 1 2 363.483 2.945 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)/C=C/c3scnc3C)CC2)cs1 ZINC000188892140 509311948 /nfs/dbraw/zinc/31/19/48/509311948.db2.gz UVOVXCFNVKRUJW-SNAWJCMRSA-N 1 2 362.524 2.964 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)/C=C/c3scnc3C)CC2)cs1 ZINC000188892140 509311951 /nfs/dbraw/zinc/31/19/51/509311951.db2.gz UVOVXCFNVKRUJW-SNAWJCMRSA-N 1 2 362.524 2.964 10 0 FFAELO CN(c1cccnn1)C1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000188954286 509340296 /nfs/dbraw/zinc/34/02/96/509340296.db2.gz DUXKPWTZYPZMSF-UHFFFAOYSA-N 1 2 366.444 2.902 10 0 FFAELO COc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000176257950 509406046 /nfs/dbraw/zinc/40/60/46/509406046.db2.gz ORRKPOSZOGOUBP-OAHLLOKOSA-N 1 2 359.401 2.685 10 0 FFAELO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CCCn2ccnc21 ZINC000176277195 509416224 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372.387 2.523 10 0 FFAELO C[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000185718002 509320980 /nfs/dbraw/zinc/32/09/80/509320980.db2.gz HFJUMFQJPNHYNV-NSHDSACASA-N 1 2 361.352 2.698 10 0 FFAELO Cc1cc(N2CC[NH+](Cc3cc(F)ccc3Cl)CC2)n2ncnc2n1 ZINC000188951333 509339262 /nfs/dbraw/zinc/33/92/62/509339262.db2.gz XTMKABKFYOFBBM-UHFFFAOYSA-N 1 2 360.824 2.547 10 0 FFAELO Cc1csc([C@@H]2C[N@H+](CCC(=O)N3CCc4ccccc4C3)CCO2)n1 ZINC000188987295 509356240 /nfs/dbraw/zinc/35/62/40/509356240.db2.gz XOOWJHVLHYSIIE-SFHVURJKSA-N 1 2 371.506 2.800 10 0 FFAELO Cc1csc([C@@H]2C[N@@H+](CCC(=O)N3CCc4ccccc4C3)CCO2)n1 ZINC000188987295 509356249 /nfs/dbraw/zinc/35/62/49/509356249.db2.gz XOOWJHVLHYSIIE-SFHVURJKSA-N 1 2 371.506 2.800 10 0 FFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)Nc2ccc(F)cn2)c2cccs2)CCO1 ZINC000248548454 509358246 /nfs/dbraw/zinc/35/82/46/509358246.db2.gz GRFMMGDCYUAIFA-GXTWGEPZSA-N 1 2 364.446 2.866 10 0 FFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)Nc2ccc(F)cn2)c2cccs2)CCO1 ZINC000248548454 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2.573 10 0 FFAELO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000173766493 509764759 /nfs/dbraw/zinc/76/47/59/509764759.db2.gz CJSSFROPZRZMEV-OXJNMPFZSA-N 1 2 357.498 2.743 10 0 FFAELO COc1cc(Cl)c(Cl)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000176952356 509782090 /nfs/dbraw/zinc/78/20/90/509782090.db2.gz MVOCXXNABXXMPO-NHYWBVRUSA-N 1 2 373.280 2.795 10 0 FFAELO O=C(Nc1ccc(F)cc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173800899 509785511 /nfs/dbraw/zinc/78/55/11/509785511.db2.gz YCADTYDMTHSCIK-GFCCVEGCSA-N 1 2 372.238 2.527 10 0 FFAELO O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173818551 509796210 /nfs/dbraw/zinc/79/62/10/509796210.db2.gz ZEYXTODWTJRNDH-RBUKOAKNSA-N 1 2 361.461 2.783 10 0 FFAELO CCOC(=O)C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1C ZINC000173819513 509796294 /nfs/dbraw/zinc/79/62/94/509796294.db2.gz RKCHGWCATJAPRC-GOSISDBHSA-N 1 2 365.433 2.996 10 0 FFAELO C[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173838210 509809463 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CCC[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CCO1 ZINC000183755292 509960318 /nfs/dbraw/zinc/96/03/18/509960318.db2.gz DJRCAFNMFIIVDA-HZPDHXFCSA-N 1 2 351.516 2.691 10 0 FFAELO c1ccc(CC2CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)nc1 ZINC000193566916 509968630 /nfs/dbraw/zinc/96/86/30/509968630.db2.gz SNYNLPKYPSGKIB-UHFFFAOYSA-N 1 2 355.511 2.884 10 0 FFAELO c1ccc(CC2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)nc1 ZINC000193566916 509968636 /nfs/dbraw/zinc/96/86/36/509968636.db2.gz SNYNLPKYPSGKIB-UHFFFAOYSA-N 1 2 355.511 2.884 10 0 FFAELO COCCC[C@H](C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000245533684 509987587 /nfs/dbraw/zinc/98/75/87/509987587.db2.gz DNKASCUAFAPTIE-ARFHVFGLSA-N 1 2 354.516 2.689 10 0 FFAELO COCCC[C@H](C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000245533684 509987588 /nfs/dbraw/zinc/98/75/88/509987588.db2.gz DNKASCUAFAPTIE-ARFHVFGLSA-N 1 2 354.516 2.689 10 0 FFAELO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245543145 509994205 /nfs/dbraw/zinc/99/42/05/509994205.db2.gz LREAGIOQXKWSFV-FHLIZLRMSA-N 1 2 372.444 2.611 10 0 FFAELO Cc1nc2ccccc2n1CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177357217 510010766 /nfs/dbraw/zinc/01/07/66/510010766.db2.gz JIOQZFZBJQJTTK-QGZVFWFLSA-N 1 2 366.469 2.806 10 0 FFAELO C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)N1CCc2ccccc21 ZINC000177415403 510047199 /nfs/dbraw/zinc/04/71/99/510047199.db2.gz XQYILIRKIJLEJA-SJLPKXTDSA-N 1 2 353.470 2.508 10 0 FFAELO CCc1ccc(NC(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000174405344 510100741 /nfs/dbraw/zinc/10/07/41/510100741.db2.gz GFLUHPDQWPYISG-INIZCTEOSA-N 1 2 354.458 2.871 10 0 FFAELO CCc1ccc(NC(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)cc1 ZINC000174405344 510100750 /nfs/dbraw/zinc/10/07/50/510100750.db2.gz GFLUHPDQWPYISG-INIZCTEOSA-N 1 2 354.458 2.871 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)NC2CCSCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245718620 510106279 /nfs/dbraw/zinc/10/62/79/510106279.db2.gz VLZFNXJRMXFUBH-JKSUJKDBSA-N 1 2 355.454 2.905 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)NC2CCSCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245718620 510106281 /nfs/dbraw/zinc/10/62/81/510106281.db2.gz VLZFNXJRMXFUBH-JKSUJKDBSA-N 1 2 355.454 2.905 10 0 FFAELO Cc1nnc([C@@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c2ccccc2)[nH]1 ZINC000187194709 510115885 /nfs/dbraw/zinc/11/58/85/510115885.db2.gz IFQNIXHSXZKZFG-FQEVSTJZSA-N 1 2 361.449 2.901 10 0 FFAELO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187207237 510123575 /nfs/dbraw/zinc/12/35/75/510123575.db2.gz GGNNYXWYRNGMOW-MRXNPFEDSA-N 1 2 369.513 2.992 10 0 FFAELO COc1cccc(CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000174472179 510130413 /nfs/dbraw/zinc/13/04/13/510130413.db2.gz ZVNOOBYDCIRXBW-AWEZNQCLSA-N 1 2 351.410 2.836 10 0 FFAELO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)n(C(C)(C)C)n1 ZINC000171403801 510136028 /nfs/dbraw/zinc/13/60/28/510136028.db2.gz KURALRHMFZHYMJ-OAHLLOKOSA-N 1 2 374.489 2.531 10 0 FFAELO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)n(C(C)(C)C)n1 ZINC000171403801 510136037 /nfs/dbraw/zinc/13/60/37/510136037.db2.gz KURALRHMFZHYMJ-OAHLLOKOSA-N 1 2 374.489 2.531 10 0 FFAELO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)C2)no1 ZINC000171405724 510138532 /nfs/dbraw/zinc/13/85/32/510138532.db2.gz XNDXXFDGGFMKRQ-WCQYABFASA-N 1 2 363.849 2.708 10 0 FFAELO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)C2)no1 ZINC000171405724 510138535 /nfs/dbraw/zinc/13/85/35/510138535.db2.gz XNDXXFDGGFMKRQ-WCQYABFASA-N 1 2 363.849 2.708 10 0 FFAELO Cc1ccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)nc1 ZINC000180852453 510144527 /nfs/dbraw/zinc/14/45/27/510144527.db2.gz MWANXSUUMWOGAU-UHFFFAOYSA-N 1 2 363.421 2.654 10 0 FFAELO Cc1cc(N2CC[NH+](Cc3nc(-c4ccc(F)c(C)c4)no3)CC2)n[nH]1 ZINC000187253928 510151910 /nfs/dbraw/zinc/15/19/10/510151910.db2.gz YSRWEBMPGWCLIL-UHFFFAOYSA-N 1 2 356.405 2.538 10 0 FFAELO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)c1 ZINC000245839820 510162723 /nfs/dbraw/zinc/16/27/23/510162723.db2.gz YBJDZFGABFAUDH-TXPKVOOTSA-N 1 2 361.486 2.651 10 0 FFAELO COc1ccc(C[C@H](C)CN(C)c2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1 ZINC000245899267 510195600 /nfs/dbraw/zinc/19/56/00/510195600.db2.gz PRNZRKCYCDECOY-WMZOPIPTSA-N 1 2 370.497 2.761 10 0 FFAELO COc1ccc(C[C@H](C)CN(C)c2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1 ZINC000245899267 510195604 /nfs/dbraw/zinc/19/56/04/510195604.db2.gz PRNZRKCYCDECOY-WMZOPIPTSA-N 1 2 370.497 2.761 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1cccnc1OC1CCCC1 ZINC000184259580 510225088 /nfs/dbraw/zinc/22/50/88/510225088.db2.gz GWYYMBKEBFCZRV-SFHVURJKSA-N 1 2 361.486 2.520 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1cccnc1OC1CCCC1 ZINC000184259580 510225093 /nfs/dbraw/zinc/22/50/93/510225093.db2.gz GWYYMBKEBFCZRV-SFHVURJKSA-N 1 2 361.486 2.520 10 0 FFAELO Cc1nnc([C@@H](NC(=O)Cn2c(C)[nH+]c3ccccc32)c2ccccc2)[nH]1 ZINC000171571537 510231933 /nfs/dbraw/zinc/23/19/33/510231933.db2.gz YNALMUWBVFLABO-IBGZPJMESA-N 1 2 360.421 2.677 10 0 FFAELO O=C(c1cccc(OCC(F)(F)F)n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177751899 510234541 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CN(CCCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000246053228 510266906 /nfs/dbraw/zinc/26/69/06/510266906.db2.gz DPHBZIKGHCDSJN-SFHVURJKSA-N 1 2 355.486 2.766 10 0 FFAELO CC(=O)c1ccccc1NC(=O)CN1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647073 510274466 /nfs/dbraw/zinc/27/44/66/510274466.db2.gz DRIOKICMWUEJQO-INIZCTEOSA-N 1 2 352.438 2.657 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000184379811 510293992 /nfs/dbraw/zinc/29/39/92/510293992.db2.gz ONERVCXBVWAFOP-CQSZACIVSA-N 1 2 353.532 2.600 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000184379811 510293996 /nfs/dbraw/zinc/29/39/96/510293996.db2.gz ONERVCXBVWAFOP-CQSZACIVSA-N 1 2 353.532 2.600 10 0 FFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000171674766 510301756 /nfs/dbraw/zinc/30/17/56/510301756.db2.gz VUDXOJBHBLDSEW-FPCVCCKLSA-N 1 2 369.531 2.708 10 0 FFAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246174034 510337963 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FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)/C=C/c1cccnc1 ZINC000177968084 510351476 /nfs/dbraw/zinc/35/14/76/510351476.db2.gz UHISVLAVEPLILD-DKRLNXSXSA-N 1 2 357.479 2.688 10 0 FFAELO O=C(c1[nH]nc2ccc(Br)cc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171767367 510357970 /nfs/dbraw/zinc/35/79/70/510357970.db2.gz NIODHOUJULBMEA-GFCCVEGCSA-N 1 2 363.259 2.636 10 0 FFAELO O=C(c1[nH]nc2ccc(Br)cc21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171767367 510357975 /nfs/dbraw/zinc/35/79/75/510357975.db2.gz NIODHOUJULBMEA-GFCCVEGCSA-N 1 2 363.259 2.636 10 0 FFAELO CCCCn1cc(C(=O)N2CCC[N@H+](Cc3cnn(CC)c3)CC2)c(C)n1 ZINC000184510555 510364127 /nfs/dbraw/zinc/36/41/27/510364127.db2.gz XGTKZYPJAODVFI-UHFFFAOYSA-N 1 2 372.517 2.556 10 0 FFAELO CCCCn1cc(C(=O)N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)c(C)n1 ZINC000184510555 510364134 /nfs/dbraw/zinc/36/41/34/510364134.db2.gz XGTKZYPJAODVFI-UHFFFAOYSA-N 1 2 372.517 2.556 10 0 FFAELO CC[C@H]1CCc2nc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)sc2C1 ZINC000194466423 510378405 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C[C@H]1C[N@H+](Cc2ccc(Br)c(F)c2)C[C@H]1N1CCOCC1 ZINC000246315712 510422432 /nfs/dbraw/zinc/42/24/32/510422432.db2.gz CTNOISWGHKBJNG-BLLLJJGKSA-N 1 2 357.267 2.741 10 0 FFAELO C[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)C[C@H]1N1CCOCC1 ZINC000246315712 510422437 /nfs/dbraw/zinc/42/24/37/510422437.db2.gz CTNOISWGHKBJNG-BLLLJJGKSA-N 1 2 357.267 2.741 10 0 FFAELO C[C@H](CNC(=O)N1CC[C@H](CSc2ccccc2)C1)[NH+]1CCOCC1 ZINC000175003708 510430553 /nfs/dbraw/zinc/43/05/53/510430553.db2.gz CZSFVUGESXCWPV-SJORKVTESA-N 1 2 363.527 2.531 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)CCOc2ccccc2-c2ccccc2)C1 ZINC000194611851 510443469 /nfs/dbraw/zinc/44/34/69/510443469.db2.gz WRTNTSKJHFLDGX-GOSISDBHSA-N 1 2 354.450 2.569 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)CCOc2ccccc2-c2ccccc2)C1 ZINC000194611851 510443475 /nfs/dbraw/zinc/44/34/75/510443475.db2.gz WRTNTSKJHFLDGX-GOSISDBHSA-N 1 2 354.450 2.569 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 ZINC000194618766 510449654 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2.530 10 0 FFAELO COCCCn1c(C)cc(C(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1C ZINC000246531489 510540049 /nfs/dbraw/zinc/54/00/49/510540049.db2.gz AIZIMWOWWYPHIU-IEBWSBKVSA-N 1 2 366.527 2.530 10 0 FFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000178366557 510569480 /nfs/dbraw/zinc/56/94/80/510569480.db2.gz GUBGZDYBKQNXDJ-HUUCEWRRSA-N 1 2 358.442 2.644 10 0 FFAELO CC(C)OCCCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246631777 510593824 /nfs/dbraw/zinc/59/38/24/510593824.db2.gz AZFZQFOHVNXCSK-JKSUJKDBSA-N 1 2 369.531 2.624 10 0 FFAELO CC(C)OCCCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246631777 510593827 /nfs/dbraw/zinc/59/38/27/510593827.db2.gz AZFZQFOHVNXCSK-JKSUJKDBSA-N 1 2 369.531 2.624 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(CC)ccn3)CC2)cn1 ZINC000181852704 510626878 /nfs/dbraw/zinc/62/68/78/510626878.db2.gz RVRQMUWXGXLAKU-UHFFFAOYSA-N 1 2 355.486 2.599 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cc(CC)ccn3)CC2)cn1 ZINC000181852704 510626886 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10 0 FFAELO CC[C@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175727140 510755651 /nfs/dbraw/zinc/75/56/51/510755651.db2.gz XLRWCBCNCTZRLF-GJZGRUSLSA-N 1 2 357.458 2.537 10 0 FFAELO CSC[C@H](C)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000246983401 510781398 /nfs/dbraw/zinc/78/13/98/510781398.db2.gz QKQZIYWHWPGHAH-BFHYXJOUSA-N 1 2 357.545 2.561 10 0 FFAELO CSC[C@H](C)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000246983401 510781399 /nfs/dbraw/zinc/78/13/99/510781399.db2.gz QKQZIYWHWPGHAH-BFHYXJOUSA-N 1 2 357.545 2.561 10 0 FFAELO C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)[NH+]1CCOCC1 ZINC000247255203 510854465 /nfs/dbraw/zinc/85/44/65/510854465.db2.gz QMKCDYIKBVKURD-SNPRPXQTSA-N 1 2 372.387 2.526 10 0 FFAELO CCCNC(=O)CCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247816453 510871236 /nfs/dbraw/zinc/87/12/36/510871236.db2.gz WSQKKTJEKYXXOL-LPHOPBHVSA-N 1 2 367.440 2.523 10 0 FFAELO CCCNC(=O)CCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247816453 510871237 /nfs/dbraw/zinc/87/12/37/510871237.db2.gz WSQKKTJEKYXXOL-LPHOPBHVSA-N 1 2 367.440 2.523 10 0 FFAELO Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000279297643 511036434 /nfs/dbraw/zinc/03/64/34/511036434.db2.gz ZJOOXSLFPTWHGT-SFHVURJKSA-N 1 2 355.486 2.555 10 0 FFAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)C[C@@H]21 ZINC000284486151 511742283 /nfs/dbraw/zinc/74/22/83/511742283.db2.gz FVLMOWVDDXRKKC-DOTOQJQBSA-N 1 2 356.426 2.642 10 0 FFAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)C[C@@H]21 ZINC000284486151 511742286 /nfs/dbraw/zinc/74/22/86/511742286.db2.gz FVLMOWVDDXRKKC-DOTOQJQBSA-N 1 2 356.426 2.642 10 0 FFAELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1ccc3n[nH]nc3c1)CCCC2 ZINC000284591915 511783738 /nfs/dbraw/zinc/78/37/38/511783738.db2.gz KQPXRSYJQKNYPW-KRWDZBQOSA-N 1 2 350.426 2.548 10 0 FFAELO Cc1cnccc1NC(=O)N1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000328627036 511897923 /nfs/dbraw/zinc/89/79/23/511897923.db2.gz FSCNOTDXUPLFJE-INIZCTEOSA-N 1 2 368.485 2.771 10 0 FFAELO Cc1c(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)noc1-c1ccccc1F ZINC000285295685 512068291 /nfs/dbraw/zinc/06/82/91/512068291.db2.gz RQGWYURGBURUDA-HZPDHXFCSA-N 1 2 374.416 2.726 10 0 FFAELO Cc1c(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)noc1-c1ccccc1F ZINC000285295685 512068294 /nfs/dbraw/zinc/06/82/94/512068294.db2.gz RQGWYURGBURUDA-HZPDHXFCSA-N 1 2 374.416 2.726 10 0 FFAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCSc3ccccc32)CCN1C ZINC000275248282 512086622 /nfs/dbraw/zinc/08/66/22/512086622.db2.gz ABRHWZOLKKQYKQ-CVEARBPZSA-N 1 2 371.510 2.655 10 0 FFAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1ccc(Cl)cc1Br ZINC000633926012 523070682 /nfs/dbraw/zinc/07/06/82/523070682.db2.gz YSPNHJVYIARORT-LLVKDONJSA-N 1 2 361.667 2.505 10 0 FFAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(Cl)cc1Br ZINC000633926012 523070693 /nfs/dbraw/zinc/07/06/93/523070693.db2.gz YSPNHJVYIARORT-LLVKDONJSA-N 1 2 361.667 2.505 10 0 FFAELO Cc1ccc(CC(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)cn1 ZINC000275614220 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COCC[N@H+]1CCN(C(=O)c2csc(-c3cccs3)n2)C[C@@H]1C ZINC000117293708 250340071 /nfs/dbraw/zinc/34/00/71/250340071.db2.gz BWRKXAAYXYPRPQ-LBPRGKRZSA-N 1 2 351.497 2.664 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CSc4ccccc43)CC2)s1 ZINC000118338610 250384159 /nfs/dbraw/zinc/38/41/59/250384159.db2.gz BUGAVLPHZXPISD-MRXNPFEDSA-N 1 2 359.520 2.985 10 0 FFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3F)CC2)cn1 ZINC000152861426 251076952 /nfs/dbraw/zinc/07/69/52/251076952.db2.gz CNNWIMQWKUXBJF-UHFFFAOYSA-N 1 2 350.825 2.561 10 0 FFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3F)CC2)cn1 ZINC000152861426 251076954 /nfs/dbraw/zinc/07/69/54/251076954.db2.gz CNNWIMQWKUXBJF-UHFFFAOYSA-N 1 2 350.825 2.561 10 0 FFAELO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000192606792 251293211 /nfs/dbraw/zinc/29/32/11/251293211.db2.gz PKKWOJMSANZTBH-AEFFLSMTSA-N 1 2 354.450 2.540 10 0 FFAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CCN1C ZINC000275444770 256007629 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2.563 10 0 FFAELO Cc1c(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cnn1C1CCCCC1 ZINC000328641790 258116569 /nfs/dbraw/zinc/11/65/69/258116569.db2.gz DKWDZWXEGCKJCF-LJQANCHMSA-N 1 2 353.470 2.878 10 0 FFAELO O=C(C[C@H]1Oc2ccccc2NC1=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000328662173 258116858 /nfs/dbraw/zinc/11/68/58/258116858.db2.gz XFHLTBMMZZLAFY-FUHWJXTLSA-N 1 2 369.396 2.738 10 0 FFAELO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc(F)cc4nn[nH]c43)C1)CCCC2 ZINC000328651871 258116893 /nfs/dbraw/zinc/11/68/93/258116893.db2.gz KBHUIOVWMPQZDM-CYBMUJFWSA-N 1 2 368.416 2.568 10 0 FFAELO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000328660214 258116956 /nfs/dbraw/zinc/11/69/56/258116956.db2.gz UZJHQJGVNMVVNZ-BFUOFWGJSA-N 1 2 358.461 2.528 10 0 FFAELO Cc1c2nnc(C(F)(F)F)n2nc(NCc2cc[nH+]c(N(C)C)c2)c1C ZINC000301684801 258063045 /nfs/dbraw/zinc/06/30/45/258063045.db2.gz VBWTVZPWEDXMEH-UHFFFAOYSA-N 1 2 365.363 2.833 10 0 FFAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(O[C@H]3CCOC3)cc1)CCC2 ZINC000329865322 258149315 /nfs/dbraw/zinc/14/93/15/258149315.db2.gz AEABDMWWXURYAU-AEFFLSMTSA-N 1 2 355.438 2.667 10 0 FFAELO CN(C[C@@H]1CCCN1c1cccnn1)c1nc(C2CC2)[nH+]c2c1CCC2 ZINC000328825127 258121806 /nfs/dbraw/zinc/12/18/06/258121806.db2.gz IWZUYADXUDLNOC-HNNXBMFYSA-N 1 2 350.470 2.738 10 0 FFAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000328936781 258124778 /nfs/dbraw/zinc/12/47/78/258124778.db2.gz JPKHZLJWSJZBHI-SUMDDJOVSA-N 1 2 364.449 2.694 10 0 FFAELO CC(C)N(C)c1cnn([C@@H]2CCCN(c3cc[nH+]c(C4CC4)n3)C2)c(=O)c1 ZINC000328969819 258125591 /nfs/dbraw/zinc/12/55/91/258125591.db2.gz UNYCKBJBWAMNHZ-MRXNPFEDSA-N 1 2 368.485 2.597 10 0 FFAELO O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329342995 258135837 /nfs/dbraw/zinc/13/58/37/258135837.db2.gz CCRQCARPAFBTAP-SKDRFNHKSA-N 1 2 353.348 2.620 10 0 FFAELO O=C(N1CCN(Cc2[nH]cc[nH+]2)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000329457402 258139293 /nfs/dbraw/zinc/13/92/93/258139293.db2.gz 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Cc1cccc(NC2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)CC2)c1 ZINC000156833395 508483647 /nfs/dbraw/zinc/48/36/47/508483647.db2.gz BLMAFVUWBCBXQQ-IBGZPJMESA-N 1 2 367.497 2.827 10 0 FFAELO Cc1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1Br ZINC000122242704 508504919 /nfs/dbraw/zinc/50/49/19/508504919.db2.gz QOBSYMHSYDRKDV-HNNXBMFYSA-N 1 2 350.260 2.855 10 0 FFAELO Cc1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1Br ZINC000122242704 508504923 /nfs/dbraw/zinc/50/49/23/508504923.db2.gz QOBSYMHSYDRKDV-HNNXBMFYSA-N 1 2 350.260 2.855 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CCO2)c1 ZINC000122674225 508570899 /nfs/dbraw/zinc/57/08/99/508570899.db2.gz XPRVAUWVPZNGDF-ROUUACIJSA-N 1 2 374.872 2.739 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CCO2)c1 ZINC000122674225 508570905 /nfs/dbraw/zinc/57/09/05/508570905.db2.gz XPRVAUWVPZNGDF-ROUUACIJSA-N 1 2 374.872 2.739 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2sc(C)cc2OC(F)F)C[C@@H]1C ZINC000117276772 508587348 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C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccnc2)no1)c1ccc(S(C)(=O)=O)cc1 ZINC000123084622 508633007 /nfs/dbraw/zinc/63/30/07/508633007.db2.gz YIDMHRSGECWGGS-OLZOCXBDSA-N 1 2 372.450 2.947 10 0 FFAELO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1F ZINC000123186491 508649045 /nfs/dbraw/zinc/64/90/45/508649045.db2.gz BXOQIFXCCRFWJJ-HOTGVXAUSA-N 1 2 358.413 2.875 10 0 FFAELO [NH2+]=C1N[C@]2(CO1)c1cc(O)ccc1Oc1ccc(Br)c(F)c12 ZINC000118745924 508668694 /nfs/dbraw/zinc/66/86/94/508668694.db2.gz HAOSXHPJEWPADA-OAHLLOKOSA-N 1 2 365.158 2.988 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2cnc(Cc3ccccc3)s2)C[C@H]1C ZINC000119028697 508710128 /nfs/dbraw/zinc/71/01/28/508710128.db2.gz FVDSWKCKQNHZRA-MRXNPFEDSA-N 1 2 373.522 2.917 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2cnc(Cc3ccccc3)s2)C[C@H]1C ZINC000119028697 508710133 /nfs/dbraw/zinc/71/01/33/508710133.db2.gz FVDSWKCKQNHZRA-MRXNPFEDSA-N 1 2 373.522 2.917 10 0 FFAELO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000154087992 508715100 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OC[C@H]1CCCN1c1cc(NCc2ccccc2Br)[nH+]cn1 ZINC000110343842 508022010 /nfs/dbraw/zinc/02/20/10/508022010.db2.gz SJJZIZLNOCHBPO-CYBMUJFWSA-N 1 2 363.259 2.812 10 0 FFAELO OC[C@H]1CCCN1c1cc(NCc2ccccc2Br)nc[nH+]1 ZINC000110343842 508022012 /nfs/dbraw/zinc/02/20/12/508022012.db2.gz SJJZIZLNOCHBPO-CYBMUJFWSA-N 1 2 363.259 2.812 10 0 FFAELO COc1cccc([C@H]2C[C@@H]2C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000110939419 508057736 /nfs/dbraw/zinc/05/77/36/508057736.db2.gz LBPUAGBGCXZCHF-MOPGFXCFSA-N 1 2 371.506 2.908 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)s1 ZINC000110944982 508058072 /nfs/dbraw/zinc/05/80/72/508058072.db2.gz JXHIOTXTGHEQQG-UHFFFAOYSA-N 1 2 367.478 2.800 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)s1 ZINC000110943736 508058350 /nfs/dbraw/zinc/05/83/50/508058350.db2.gz NVZXOKFCIDLNKQ-OAHLLOKOSA-N 1 2 359.495 2.872 10 0 FFAELO C[C@H](NC(=O)N[C@@H](CO)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876526 508066651 /nfs/dbraw/zinc/06/66/51/508066651.db2.gz VJZTUGKNHSOUAH-QFBILLFUSA-N 1 2 364.449 2.836 10 0 FFAELO O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080908002 508111185 /nfs/dbraw/zinc/11/11/85/508111185.db2.gz HHXGFWQCZHQYGH-CQSZACIVSA-N 1 2 363.508 2.808 10 0 FFAELO Cc1cc(N2CCN(C(=O)C3C[C@@H](C)O[C@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000093908853 508160118 /nfs/dbraw/zinc/16/01/18/508160118.db2.gz SCDITURSBZSQBD-HZPDHXFCSA-N 1 2 360.502 2.761 10 0 FFAELO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112352291 508177275 /nfs/dbraw/zinc/17/72/75/508177275.db2.gz YBGJOAOHFQHYQD-GJZGRUSLSA-N 1 2 351.516 2.589 10 0 FFAELO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112352291 508177274 /nfs/dbraw/zinc/17/72/74/508177274.db2.gz YBGJOAOHFQHYQD-GJZGRUSLSA-N 1 2 351.516 2.589 10 0 FFAELO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CCCn3cc[nH+]c32)cc1)C1CC1 ZINC000081762802 508210061 /nfs/dbraw/zinc/21/00/61/508210061.db2.gz HKKBAIXXCOACKJ-GOSISDBHSA-N 1 2 352.438 2.910 10 0 FFAELO COCCN(CC(F)F)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470652 508210315 /nfs/dbraw/zinc/21/03/15/508210315.db2.gz HFXNMMJMTJDUJW-ZDUSSCGKSA-N 1 2 352.385 2.856 10 0 FFAELO CCCOc1ncccc1CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112746298 508219783 /nfs/dbraw/zinc/21/97/83/508219783.db2.gz VMZKJYHZHSLACA-UHFFFAOYSA-N 1 2 371.485 2.995 10 0 FFAELO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CCCn4ccnc43)CC2)cc1 ZINC000081941413 508220824 /nfs/dbraw/zinc/22/08/24/508220824.db2.gz MWAVIGNFSMLEKV-IBGZPJMESA-N 1 2 367.497 2.612 10 0 FFAELO O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112864379 508227380 /nfs/dbraw/zinc/22/73/80/508227380.db2.gz COIVHAOVMSKBPK-HZPDHXFCSA-N 1 2 354.360 2.965 10 0 FFAELO CC(C)CCOc1ccc([C@@H](C)NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000101606110 508250062 /nfs/dbraw/zinc/25/00/62/508250062.db2.gz HQYLHTXSVQFIAB-QGZVFWFLSA-N 1 2 363.502 2.804 10 0 FFAELO Cc1ccc(S(=O)(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(F)c1 ZINC000113299504 508259989 /nfs/dbraw/zinc/25/99/89/508259989.db2.gz BMKFSQHEIMYZCD-UHFFFAOYSA-N 1 2 351.447 2.738 10 0 FFAELO CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CCCc3ccccn3)CC2)cn1 ZINC000113860694 508283821 /nfs/dbraw/zinc/28/38/21/508283821.db2.gz RUEQWIJKHOEYHH-UHFFFAOYSA-N 1 2 369.513 2.700 10 0 FFAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000114202713 508299001 /nfs/dbraw/zinc/29/90/01/508299001.db2.gz YWYHVVSTYFKHBQ-FXAWDEMLSA-N 1 2 367.497 2.579 10 0 FFAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000114202713 508299006 /nfs/dbraw/zinc/29/90/06/508299006.db2.gz YWYHVVSTYFKHBQ-FXAWDEMLSA-N 1 2 367.497 2.579 10 0 FFAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000077365498 508306220 /nfs/dbraw/zinc/30/62/20/508306220.db2.gz BMRXXODGEZSWOM-SOLBZPMBSA-N 1 2 374.481 2.621 10 0 FFAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000077365498 508306223 /nfs/dbraw/zinc/30/62/23/508306223.db2.gz BMRXXODGEZSWOM-SOLBZPMBSA-N 1 2 374.481 2.621 10 0 FFAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000077368000 508306246 /nfs/dbraw/zinc/30/62/46/508306246.db2.gz DNHMTPDPXONFKF-QZTJIDSGSA-N 1 2 368.477 2.991 10 0 FFAELO CC[C@@H](CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)C(C)C ZINC000104414984 508334336 /nfs/dbraw/zinc/33/43/36/508334336.db2.gz OCZMQJPQTUHONS-SJORKVTESA-N 1 2 351.535 2.650 10 0 FFAELO Cc1nc(-c2ccsc2)ccc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114856825 508354317 /nfs/dbraw/zinc/35/43/17/508354317.db2.gz PLGOSAYTSUTVBG-MRXNPFEDSA-N 1 2 357.479 2.712 10 0 FFAELO Cc1nc(-c2ccsc2)ccc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114856825 508354319 /nfs/dbraw/zinc/35/43/19/508354319.db2.gz PLGOSAYTSUTVBG-MRXNPFEDSA-N 1 2 357.479 2.712 10 0 FFAELO CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000105020241 508357048 /nfs/dbraw/zinc/35/70/48/508357048.db2.gz IUIIDQBILBCECT-UHFFFAOYSA-N 1 2 355.457 2.996 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000105246301 508367200 /nfs/dbraw/zinc/36/72/00/508367200.db2.gz LFMCDXAWSBYSQF-MRXNPFEDSA-N 1 2 351.878 2.739 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000105246301 508367202 /nfs/dbraw/zinc/36/72/02/508367202.db2.gz LFMCDXAWSBYSQF-MRXNPFEDSA-N 1 2 351.878 2.739 10 0 FFAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000088380528 508368163 /nfs/dbraw/zinc/36/81/63/508368163.db2.gz YLKMAMBPDOIVTQ-OAHLLOKOSA-N 1 2 365.441 2.898 10 0 FFAELO Cc1cccc(Oc2ncccc2NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000105281195 508368625 /nfs/dbraw/zinc/36/86/25/508368625.db2.gz FMORUPKRTQQHKF-MRXNPFEDSA-N 1 2 370.453 2.943 10 0 FFAELO Cc1cccc(Oc2ncccc2NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000105281195 508368628 /nfs/dbraw/zinc/36/86/28/508368628.db2.gz FMORUPKRTQQHKF-MRXNPFEDSA-N 1 2 370.453 2.943 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000105282035 508368746 /nfs/dbraw/zinc/36/87/46/508368746.db2.gz PENKYTZZWGBCCP-LJQANCHMSA-N 1 2 373.428 2.857 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000105282035 508368748 /nfs/dbraw/zinc/36/87/48/508368748.db2.gz PENKYTZZWGBCCP-LJQANCHMSA-N 1 2 373.428 2.857 10 0 FFAELO O=C(C[C@@H]1C=CCC1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000115155450 508372513 /nfs/dbraw/zinc/37/25/13/508372513.db2.gz VYCKVHCKRINHLS-GOSISDBHSA-N 1 2 350.466 2.873 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)NCC3CCCCC3)CC2)s1 ZINC000106091436 508393150 /nfs/dbraw/zinc/39/31/50/508393150.db2.gz JXHAVGIKKVHSHI-HNNXBMFYSA-N 1 2 364.559 2.654 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)s1 ZINC000106091608 508393307 /nfs/dbraw/zinc/39/33/07/508393307.db2.gz SCQBYZAMUUKPLD-JKSUJKDBSA-N 1 2 372.538 2.835 10 0 FFAELO CCOCCN1CC[N@@H+]([C@H](C)C(=O)N2CCCC[C@H]2CC)C[C@H]1CC ZINC000106119663 508395727 /nfs/dbraw/zinc/39/57/27/508395727.db2.gz GAVVFCDJOXMMIP-GUDVDZBRSA-N 1 2 353.551 2.599 10 0 FFAELO CCOCCN1CC[N@H+]([C@H](C)C(=O)N2CCCC[C@H]2CC)C[C@H]1CC ZINC000106119663 508395728 /nfs/dbraw/zinc/39/57/28/508395728.db2.gz GAVVFCDJOXMMIP-GUDVDZBRSA-N 1 2 353.551 2.599 10 0 FFAELO Cc1cccc(C)c1OC[C@H](O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106373822 508399921 /nfs/dbraw/zinc/39/99/21/508399921.db2.gz RLBSZCOQWNBCRQ-QGZVFWFLSA-N 1 2 357.498 2.958 10 0 FFAELO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106373822 508399922 /nfs/dbraw/zinc/39/99/22/508399922.db2.gz RLBSZCOQWNBCRQ-QGZVFWFLSA-N 1 2 357.498 2.958 10 0 FFAELO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106373822 508399923 /nfs/dbraw/zinc/39/99/23/508399923.db2.gz RLBSZCOQWNBCRQ-QGZVFWFLSA-N 1 2 357.498 2.958 10 0 FFAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(Cl)cc3F)CC2)cn1 ZINC000121910965 508446932 /nfs/dbraw/zinc/44/69/32/508446932.db2.gz BJKLKGHLUGCXKO-UHFFFAOYSA-N 1 2 368.815 2.700 10 0 FFAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(F)c(Cl)cc3F)CC2)cn1 ZINC000121910965 508446933 /nfs/dbraw/zinc/44/69/33/508446933.db2.gz BJKLKGHLUGCXKO-UHFFFAOYSA-N 1 2 368.815 2.700 10 0 FFAELO O=C(C[NH+]1CCC(n2cncn2)CC1)Nc1nc(-c2cccs2)cs1 ZINC000156637629 508454309 /nfs/dbraw/zinc/45/43/09/508454309.db2.gz SWCBVJRSWBUGGT-UHFFFAOYSA-N 1 2 374.495 2.739 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3cnc(C4CC4)nc3)CC2)cs1 ZINC000116498398 508521748 /nfs/dbraw/zinc/52/17/48/508521748.db2.gz KJQDSHUUZQUOHU-UHFFFAOYSA-N 1 2 372.498 2.859 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3cnc(C4CC4)nc3)CC2)cs1 ZINC000116498398 508521751 /nfs/dbraw/zinc/52/17/51/508521751.db2.gz KJQDSHUUZQUOHU-UHFFFAOYSA-N 1 2 372.498 2.859 10 0 FFAELO CCS[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)n1 ZINC000127981184 508530570 /nfs/dbraw/zinc/53/05/70/508530570.db2.gz RNPDOLPRWSUFOJ-CQSZACIVSA-N 1 2 362.503 2.694 10 0 FFAELO CCS[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)n1 ZINC000127981184 508530576 /nfs/dbraw/zinc/53/05/76/508530576.db2.gz RNPDOLPRWSUFOJ-CQSZACIVSA-N 1 2 362.503 2.694 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2CC)C[C@H]1CC ZINC000116767142 508556876 /nfs/dbraw/zinc/55/68/76/508556876.db2.gz HOLJXNJUGYOEFW-MRXNPFEDSA-N 1 2 363.502 2.661 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2CC)C[C@H]1CC ZINC000116767142 508556881 /nfs/dbraw/zinc/55/68/81/508556881.db2.gz HOLJXNJUGYOEFW-MRXNPFEDSA-N 1 2 363.502 2.661 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C[C@H]1CC ZINC000116771560 508557993 /nfs/dbraw/zinc/55/79/93/508557993.db2.gz WFDLUFBHQLHRSP-QGZVFWFLSA-N 1 2 374.460 2.789 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C[C@H]1CC ZINC000116771560 508557995 /nfs/dbraw/zinc/55/79/95/508557995.db2.gz WFDLUFBHQLHRSP-QGZVFWFLSA-N 1 2 374.460 2.789 10 0 FFAELO Cc1csc(-c2cccc(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2)n1 ZINC000122798262 508587788 /nfs/dbraw/zinc/58/77/88/508587788.db2.gz MGJPODQUGCKBHO-QGZVFWFLSA-N 1 2 357.479 2.712 10 0 FFAELO Cc1csc(-c2cccc(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)c2)n1 ZINC000122798262 508587792 /nfs/dbraw/zinc/58/77/92/508587792.db2.gz MGJPODQUGCKBHO-QGZVFWFLSA-N 1 2 357.479 2.712 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2csc(-c3ccccc3C)n2)C[C@@H]1C ZINC000117284113 508588050 /nfs/dbraw/zinc/58/80/50/508588050.db2.gz XTOFEUAKDNACAZ-HNNXBMFYSA-N 1 2 359.495 2.911 10 0 FFAELO COCC[N@H+]1CCN(C(=O)c2csc(-c3ccccc3C)n2)C[C@@H]1C ZINC000117284113 508588053 /nfs/dbraw/zinc/58/80/53/508588053.db2.gz XTOFEUAKDNACAZ-HNNXBMFYSA-N 1 2 359.495 2.911 10 0 FFAELO Cc1ccc(C)c(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1 ZINC000117310452 508591464 /nfs/dbraw/zinc/59/14/64/508591464.db2.gz UBFGVDYIUBFZAP-IBGZPJMESA-N 1 2 368.477 2.501 10 0 FFAELO CS[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)C1 ZINC000117507729 508603182 /nfs/dbraw/zinc/60/31/82/508603182.db2.gz RSQPXSLYYABWPM-LSDHHAIUSA-N 1 2 368.572 2.953 10 0 FFAELO COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1F ZINC000123186269 508649549 /nfs/dbraw/zinc/64/95/49/508649549.db2.gz BXOQIFXCCRFWJJ-JKSUJKDBSA-N 1 2 358.413 2.875 10 0 FFAELO CC(C)Oc1c(Cl)cccc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000118556402 508655269 /nfs/dbraw/zinc/65/52/69/508655269.db2.gz QTBQRKSLXBEZBN-ZDUSSCGKSA-N 1 2 355.866 2.969 10 0 FFAELO CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123667098 508722505 /nfs/dbraw/zinc/72/25/05/508722505.db2.gz LXKDDLALQKFJBY-HRCADAONSA-N 1 2 364.490 2.986 10 0 FFAELO Cc1ccc([C@H](CNC(=O)NCc2cncc(C)c2)[NH+]2CCOCC2)s1 ZINC000119085308 508722548 /nfs/dbraw/zinc/72/25/48/508722548.db2.gz LOJXJWVZBVKLKX-KRWDZBQOSA-N 1 2 374.510 2.633 10 0 FFAELO C[C@@H]1CCCN(c2cc(NCc3ccnc(O[C@@H]4CCOC4)c3)[nH+]cn2)C1 ZINC000124065635 508778583 /nfs/dbraw/zinc/77/85/83/508778583.db2.gz XSPNAPCQIJXZIW-NVXWUHKLSA-N 1 2 369.469 2.888 10 0 FFAELO C[C@@H]1CCCN(c2cc(NCc3ccnc(O[C@@H]4CCOC4)c3)nc[nH+]2)C1 ZINC000124065635 508778586 /nfs/dbraw/zinc/77/85/86/508778586.db2.gz XSPNAPCQIJXZIW-NVXWUHKLSA-N 1 2 369.469 2.888 10 0 FFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3nc4ccccc4s3)CC2)cn1 ZINC000119640159 508834438 /nfs/dbraw/zinc/83/44/38/508834438.db2.gz DNVZJJHMUXREIY-UHFFFAOYSA-N 1 2 369.494 2.861 10 0 FFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3nc4ccccc4s3)CC2)cn1 ZINC000119640159 508834442 /nfs/dbraw/zinc/83/44/42/508834442.db2.gz DNVZJJHMUXREIY-UHFFFAOYSA-N 1 2 369.494 2.861 10 0 FFAELO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000119947123 508896188 /nfs/dbraw/zinc/89/61/88/508896188.db2.gz KIXFZSMHAGBMQQ-JXFKEZNVSA-N 1 2 370.497 2.527 10 0 FFAELO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000119947123 508896192 /nfs/dbraw/zinc/89/61/92/508896192.db2.gz KIXFZSMHAGBMQQ-JXFKEZNVSA-N 1 2 370.497 2.527 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)N(C)C3CCCCC3)CC2)s1 ZINC000155065071 508915266 /nfs/dbraw/zinc/91/52/66/508915266.db2.gz CWBVBDWSZNZEQX-HNNXBMFYSA-N 1 2 364.559 2.749 10 0 FFAELO Cc1ncc(CN2CC[NH+]([C@@H](C)C(=O)N(C)C3CCCCC3)CC2)s1 ZINC000155065071 508915273 /nfs/dbraw/zinc/91/52/73/508915273.db2.gz CWBVBDWSZNZEQX-HNNXBMFYSA-N 1 2 364.559 2.749 10 0 FFAELO CCc1onc(C)c1NC(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000131515154 508943178 /nfs/dbraw/zinc/94/31/78/508943178.db2.gz ZMVVSGJCURVICD-LBPRGKRZSA-N 1 2 367.409 2.547 10 0 FFAELO COC(=O)c1ccc(CN2CC[NH+](Cc3cnc(C)s3)CC2)cc1F ZINC000151046583 508946442 /nfs/dbraw/zinc/94/64/42/508946442.db2.gz LJQSYHWMACYZGE-UHFFFAOYSA-N 1 2 363.458 2.695 10 0 FFAELO Cn1nccc1C1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000155862607 509083552 /nfs/dbraw/zinc/08/35/52/509083552.db2.gz UWODOGAKWSMWBH-UHFFFAOYSA-N 1 2 372.860 2.810 10 0 FFAELO COc1ccnc(N2CCC(C(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)n1 ZINC000121124885 509134102 /nfs/dbraw/zinc/13/41/02/509134102.db2.gz OYIXDEPPKDLBRT-UHFFFAOYSA-N 1 2 355.442 2.661 10 0 FFAELO CCc1noc([C@H](C)N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)n1 ZINC000152053226 509136797 /nfs/dbraw/zinc/13/67/97/509136797.db2.gz AHYSCGPOFFESDN-ZDUSSCGKSA-N 1 2 350.413 2.832 10 0 FFAELO O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000156313281 509158328 /nfs/dbraw/zinc/15/83/28/509158328.db2.gz PFTFZMGVQRURCM-LLVKDONJSA-N 1 2 367.375 2.594 10 0 FFAELO COCCCOc1cccc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)c1 ZINC000121342217 509168012 /nfs/dbraw/zinc/16/80/12/509168012.db2.gz WIWPWUMYXGXAMM-INIZCTEOSA-N 1 2 374.485 2.672 10 0 FFAELO C[C@H]1CN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000121363641 509169673 /nfs/dbraw/zinc/16/96/73/509169673.db2.gz RGRHOFJFABBRSO-GUYCJALGSA-N 1 2 374.872 2.523 10 0 FFAELO COc1cc(-c2ccccc2)sc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172747110 509209187 /nfs/dbraw/zinc/20/91/87/509209187.db2.gz MTJUFDRKFVZUIM-INIZCTEOSA-N 1 2 372.490 2.970 10 0 FFAELO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172766402 509222800 /nfs/dbraw/zinc/22/28/00/509222800.db2.gz REGGTBNKCNPWJS-INIZCTEOSA-N 1 2 357.479 2.665 10 0 FFAELO CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248073158 509230082 /nfs/dbraw/zinc/23/00/82/509230082.db2.gz QUEZPJONFREUOD-HKUYNNGSSA-N 1 2 372.490 2.655 10 0 FFAELO CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248073158 509230090 /nfs/dbraw/zinc/23/00/90/509230090.db2.gz QUEZPJONFREUOD-HKUYNNGSSA-N 1 2 372.490 2.655 10 0 FFAELO C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000185556838 509236098 /nfs/dbraw/zinc/23/60/98/509236098.db2.gz HYCOHCGGTNKSKS-CJNGLKHVSA-N 1 2 368.880 2.936 10 0 FFAELO Fc1ccccc1-n1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000188953158 509340729 /nfs/dbraw/zinc/34/07/29/509340729.db2.gz WWMRLDFNAQGVGU-UHFFFAOYSA-N 1 2 352.417 2.514 10 0 FFAELO Fc1ccccc1-n1ccc(C[N@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000188953158 509340733 /nfs/dbraw/zinc/34/07/33/509340733.db2.gz WWMRLDFNAQGVGU-UHFFFAOYSA-N 1 2 352.417 2.514 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)Nc2ccc(F)cn2)c2cccs2)CCO1 ZINC000248548455 509358560 /nfs/dbraw/zinc/35/85/60/509358560.db2.gz GRFMMGDCYUAIFA-TZMCWYRMSA-N 1 2 364.446 2.866 10 0 FFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)Nc2ccc(F)cn2)c2cccs2)CCO1 ZINC000248548455 509358562 /nfs/dbraw/zinc/35/85/62/509358562.db2.gz GRFMMGDCYUAIFA-TZMCWYRMSA-N 1 2 364.446 2.866 10 0 FFAELO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248681492 509432740 /nfs/dbraw/zinc/43/27/40/509432740.db2.gz WPNKFGLPXSIFME-FPCVCCKLSA-N 1 2 364.490 2.842 10 0 FFAELO C[C@H]1CCN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C[C@H]1n1cc[nH+]c1 ZINC000248821534 509497628 /nfs/dbraw/zinc/49/76/28/509497628.db2.gz FJBRKGOJTSZYIB-SWLSCSKDSA-N 1 2 362.430 2.775 10 0 FFAELO CCOCc1cc(C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)ccc1OC ZINC000248829132 509501525 /nfs/dbraw/zinc/50/15/25/509501525.db2.gz HSZMXSYJQWKXJA-IRXDYDNUSA-N 1 2 361.442 2.885 10 0 FFAELO CCOCc1cc(C[N@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)ccc1OC ZINC000248829132 509501534 /nfs/dbraw/zinc/50/15/34/509501534.db2.gz HSZMXSYJQWKXJA-IRXDYDNUSA-N 1 2 361.442 2.885 10 0 FFAELO COC(=O)[C@@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000173295330 509512023 /nfs/dbraw/zinc/51/20/23/509512023.db2.gz CSJZOTVTUOTUOE-CQSZACIVSA-N 1 2 373.478 2.709 10 0 FFAELO COC(=O)[C@@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000173295330 509512030 /nfs/dbraw/zinc/51/20/30/509512030.db2.gz CSJZOTVTUOTUOE-CQSZACIVSA-N 1 2 373.478 2.709 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1ccc(F)cc1 ZINC000176517890 509556405 /nfs/dbraw/zinc/55/64/05/509556405.db2.gz PEBVHCSOGIVQPF-KRWDZBQOSA-N 1 2 362.470 2.962 10 0 FFAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000248973116 509559412 /nfs/dbraw/zinc/55/94/12/509559412.db2.gz PVOMKAZRKSYVJN-ROUUACIJSA-N 1 2 353.426 2.834 10 0 FFAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000248973116 509559414 /nfs/dbraw/zinc/55/94/14/509559414.db2.gz PVOMKAZRKSYVJN-ROUUACIJSA-N 1 2 353.426 2.834 10 0 FFAELO CO[C@@H](C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)c1ccccc1 ZINC000176525721 509563427 /nfs/dbraw/zinc/56/34/27/509563427.db2.gz DWYOTHYLBNOMKN-PKOBYXMFSA-N 1 2 374.506 2.968 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3cc(F)ccc3o2)nc[nH+]1 ZINC000173412602 509582269 /nfs/dbraw/zinc/58/22/69/509582269.db2.gz ZLGDNVACOKACOQ-CQSZACIVSA-N 1 2 369.400 2.802 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3cc(F)ccc3o2)[nH+]cn1 ZINC000173412602 509582276 /nfs/dbraw/zinc/58/22/76/509582276.db2.gz ZLGDNVACOKACOQ-CQSZACIVSA-N 1 2 369.400 2.802 10 0 FFAELO Cc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3O2)[NH+]2CCOCC2)s1 ZINC000176557992 509583067 /nfs/dbraw/zinc/58/30/67/509583067.db2.gz ABKVBFXVSUTKTG-FUHWJXTLSA-N 1 2 372.490 2.550 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c(F)cccc2Cl)nc[nH+]1 ZINC000173431209 509595375 /nfs/dbraw/zinc/59/53/75/509595375.db2.gz CCDWGYVFBAWPLH-NSHDSACASA-N 1 2 363.824 2.710 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c(F)cccc2Cl)[nH+]cn1 ZINC000173431209 509595386 /nfs/dbraw/zinc/59/53/86/509595386.db2.gz CCDWGYVFBAWPLH-NSHDSACASA-N 1 2 363.824 2.710 10 0 FFAELO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1)C[C@H](O)C(F)(F)F ZINC000189487524 509600755 /nfs/dbraw/zinc/60/07/55/509600755.db2.gz VPJHOKNTRPCHRC-CVEARBPZSA-N 1 2 374.403 2.604 10 0 FFAELO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1)C[C@H](O)C(F)(F)F ZINC000189487524 509600760 /nfs/dbraw/zinc/60/07/60/509600760.db2.gz VPJHOKNTRPCHRC-CVEARBPZSA-N 1 2 374.403 2.604 10 0 FFAELO CCCCSCCC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173442306 509602185 /nfs/dbraw/zinc/60/21/85/509602185.db2.gz CPKYMJWHVCPHJC-CQSZACIVSA-N 1 2 351.520 2.527 10 0 FFAELO CCCCSCCC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173442306 509602186 /nfs/dbraw/zinc/60/21/86/509602186.db2.gz CPKYMJWHVCPHJC-CQSZACIVSA-N 1 2 351.520 2.527 10 0 FFAELO C[C@@H](NC(=O)N1CCC[C@@H](n2cncn2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173459325 509612756 /nfs/dbraw/zinc/61/27/56/509612756.db2.gz CRRJZCKMINAMCT-CRAIPNDOSA-N 1 2 365.441 2.572 10 0 FFAELO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C[C@H]1C ZINC000249143072 509621575 /nfs/dbraw/zinc/62/15/75/509621575.db2.gz WLNYRVOTTZCLKG-NTZNESFSSA-N 1 2 356.825 2.937 10 0 FFAELO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C[C@H]1C ZINC000249143072 509621581 /nfs/dbraw/zinc/62/15/81/509621581.db2.gz WLNYRVOTTZCLKG-NTZNESFSSA-N 1 2 356.825 2.937 10 0 FFAELO O=C1[C@@H]([N@@H+]2CCN3CCCC[C@H]3C2)CCCN1Cc1ccc(F)cc1F ZINC000249279122 509644996 /nfs/dbraw/zinc/64/49/96/509644996.db2.gz KLGJPKIUBJKUIS-HKUYNNGSSA-N 1 2 363.452 2.626 10 0 FFAELO O=C1[C@@H]([N@H+]2CCN3CCCC[C@H]3C2)CCCN1Cc1ccc(F)cc1F ZINC000249279122 509645005 /nfs/dbraw/zinc/64/50/05/509645005.db2.gz KLGJPKIUBJKUIS-HKUYNNGSSA-N 1 2 363.452 2.626 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)CCO2)c1 ZINC000186344707 509661385 /nfs/dbraw/zinc/66/13/85/509661385.db2.gz FXTNRZVBHSIPLE-SFHVURJKSA-N 1 2 357.454 2.738 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)CCO2)c1 ZINC000186344707 509661393 /nfs/dbraw/zinc/66/13/93/509661393.db2.gz FXTNRZVBHSIPLE-SFHVURJKSA-N 1 2 357.454 2.738 10 0 FFAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)NCc1ccccc1Cl ZINC000173625385 509682535 /nfs/dbraw/zinc/68/25/35/509682535.db2.gz ZMXKNSPYGHJVIU-QWHCGFSZSA-N 1 2 361.877 2.623 10 0 FFAELO COc1ccccc1[C@@H](C)NC(=O)C[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176887880 509743774 /nfs/dbraw/zinc/74/37/74/509743774.db2.gz CATBADQVTSVFBU-DLUDVSRJSA-N 1 2 363.483 2.599 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)NCc1ccc(Cl)cc1 ZINC000176890779 509747517 /nfs/dbraw/zinc/74/75/17/509747517.db2.gz RPXKMQITMJZBGW-QHCPKHFHSA-N 1 2 353.875 2.683 10 0 FFAELO Cc1noc(C)c1C[C@H](C)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186514173 509747901 /nfs/dbraw/zinc/74/79/01/509747901.db2.gz MSRYVSJOIDAHLV-AWEZNQCLSA-N 1 2 357.458 2.539 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000176893631 509748555 /nfs/dbraw/zinc/74/85/55/509748555.db2.gz BEPAHIRANBYNSZ-OZAJXLCCSA-N 1 2 351.447 2.557 10 0 FFAELO Cc1nc(NC(=O)C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)sc1C ZINC000193055807 509757547 /nfs/dbraw/zinc/75/75/47/509757547.db2.gz JMVMNBLWYPEBSI-GFCCVEGCSA-N 1 2 369.450 2.762 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC000173769310 509766327 /nfs/dbraw/zinc/76/63/27/509766327.db2.gz JNSWJLIGOOYMHS-AWEZNQCLSA-N 1 2 358.461 2.624 10 0 FFAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cn(C)nc3-c3cccs3)CCO2)n1 ZINC000180131051 509770340 /nfs/dbraw/zinc/77/03/40/509770340.db2.gz ZSFSLYXBUZDHTL-QGZVFWFLSA-N 1 2 371.510 2.863 10 0 FFAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cn(C)nc3-c3cccs3)CCO2)n1 ZINC000180131051 509770346 /nfs/dbraw/zinc/77/03/46/509770346.db2.gz ZSFSLYXBUZDHTL-QGZVFWFLSA-N 1 2 371.510 2.863 10 0 FFAELO Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H](c4ccccc4)OCC3(C)C)sc2n1 ZINC000170779243 509772903 /nfs/dbraw/zinc/77/29/03/509772903.db2.gz IYBLXQUKCJAISQ-HNNXBMFYSA-N 1 2 370.478 2.812 10 0 FFAELO Cc1cc(=O)n2nc(C[N@H+]3C[C@@H](c4ccccc4)OCC3(C)C)sc2n1 ZINC000170779243 509772912 /nfs/dbraw/zinc/77/29/12/509772912.db2.gz IYBLXQUKCJAISQ-HNNXBMFYSA-N 1 2 370.478 2.812 10 0 FFAELO Cc1csc([C@H]2C[N@H+](C[C@H](O)COc3ccc(C)cc3C)CCO2)n1 ZINC000249853835 509774823 /nfs/dbraw/zinc/77/48/23/509774823.db2.gz CPWRTINZEHPRLG-FUHWJXTLSA-N 1 2 362.495 2.882 10 0 FFAELO Cc1csc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(C)cc3C)CCO2)n1 ZINC000249853835 509774827 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CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000101564313 508247054 /nfs/dbraw/zinc/24/70/54/508247054.db2.gz MROMKAIWIYZTIA-GXTWGEPZSA-N 1 2 353.413 2.673 10 0 FFAELO CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CC[C@H]3CCCCO3)CC2)cn1 ZINC000113859288 508283601 /nfs/dbraw/zinc/28/36/01/508283601.db2.gz LIDHGNYKHOWUMP-GOSISDBHSA-N 1 2 362.518 2.632 10 0 FFAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)NCCOc1ccc(Cl)cc1 ZINC000114202956 508299236 /nfs/dbraw/zinc/29/92/36/508299236.db2.gz UZGVYNFFMAOMNV-QGZVFWFLSA-N 1 2 362.861 2.785 10 0 FFAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)NCCOc1ccc(Cl)cc1 ZINC000114202956 508299238 /nfs/dbraw/zinc/29/92/38/508299238.db2.gz UZGVYNFFMAOMNV-QGZVFWFLSA-N 1 2 362.861 2.785 10 0 FFAELO CC(C)CCOc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000104798254 508347346 /nfs/dbraw/zinc/34/73/46/508347346.db2.gz GCQLYSVFFZAFJJ-APWZRJJASA-N 1 2 363.502 2.802 10 0 FFAELO CC(C)CCOc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000104798254 508347349 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FFAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000152385083 508435847 /nfs/dbraw/zinc/43/58/47/508435847.db2.gz WCEPPOJJJSHRET-KRWDZBQOSA-N 1 2 370.501 2.891 10 0 FFAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000152385083 508435854 /nfs/dbraw/zinc/43/58/54/508435854.db2.gz WCEPPOJJJSHRET-KRWDZBQOSA-N 1 2 370.501 2.891 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)/C=C/c2cncc(C)c2)[NH+]2CCOCC2)s1 ZINC000152461122 508450895 /nfs/dbraw/zinc/45/08/95/508450895.db2.gz OVRRQGXDSFPYAD-MJICGBHWSA-N 1 2 371.506 2.963 10 0 FFAELO O=C(C[N@H+]1CC=C(c2ccccc2F)CC1)NC1CCC2(CC1)OCCO2 ZINC000127633299 508479330 /nfs/dbraw/zinc/47/93/30/508479330.db2.gz WIVSYXPKXLVYJB-UHFFFAOYSA-N 1 2 374.456 2.717 10 0 FFAELO O=C(C[N@@H+]1CC=C(c2ccccc2F)CC1)NC1CCC2(CC1)OCCO2 ZINC000127633299 508479334 /nfs/dbraw/zinc/47/93/34/508479334.db2.gz WIVSYXPKXLVYJB-UHFFFAOYSA-N 1 2 374.456 2.717 10 0 FFAELO COc1cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c(SC)cc1OC ZINC000122160800 508491484 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VRSPUELFWIURAU-UHFFFAOYSA-N 1 2 374.510 2.617 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)Nc1ccc(F)cn1 ZINC000122642455 508566255 /nfs/dbraw/zinc/56/62/55/508566255.db2.gz SMFRLPULRYSJBK-CQSZACIVSA-N 1 2 364.446 2.819 10 0 FFAELO Cc1c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cccc1-c1ccccn1 ZINC000122886113 508602322 /nfs/dbraw/zinc/60/23/22/508602322.db2.gz MCBFECBJQJQOLC-HRAATJIYSA-N 1 2 365.477 2.850 10 0 FFAELO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000135649069 508636819 /nfs/dbraw/zinc/63/68/19/508636819.db2.gz FCAGEWXIOYLHQH-ZDUSSCGKSA-N 1 2 352.891 2.761 10 0 FFAELO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000135649069 508636823 /nfs/dbraw/zinc/63/68/23/508636823.db2.gz FCAGEWXIOYLHQH-ZDUSSCGKSA-N 1 2 352.891 2.761 10 0 FFAELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000158320539 508687832 /nfs/dbraw/zinc/68/78/32/508687832.db2.gz GKIFDWCKIYMCDB-CYBMUJFWSA-N 1 2 355.467 2.549 10 0 FFAELO 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O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F)N1CCc2ccccc2C1 ZINC000246763255 510660138 /nfs/dbraw/zinc/66/01/38/510660138.db2.gz QWUAZIPZJNJAFC-XLIONFOSSA-N 1 2 372.415 2.657 10 0 FFAELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F)N1CCc2ccccc2C1 ZINC000246763255 510660143 /nfs/dbraw/zinc/66/01/43/510660143.db2.gz QWUAZIPZJNJAFC-XLIONFOSSA-N 1 2 372.415 2.657 10 0 FFAELO CCCCCc1nnc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)s1 ZINC000246822145 510692733 /nfs/dbraw/zinc/69/27/33/510692733.db2.gz JWLYRGJUDYHPCB-KSSFIOAISA-N 1 2 366.531 2.836 10 0 FFAELO CCCCCc1nnc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)s1 ZINC000246822145 510692739 /nfs/dbraw/zinc/69/27/39/510692739.db2.gz JWLYRGJUDYHPCB-KSSFIOAISA-N 1 2 366.531 2.836 10 0 FFAELO O=c1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc2ccccn12 ZINC000182021200 510713946 /nfs/dbraw/zinc/71/39/46/510713946.db2.gz GDORUNJHARAKRV-UHFFFAOYSA-N 1 2 371.444 2.696 10 0 FFAELO CC[C@H](C)NC(=O)CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175727180 510757094 /nfs/dbraw/zinc/75/70/94/510757094.db2.gz XLRWCBCNCTZRLF-LSDHHAIUSA-N 1 2 357.458 2.537 10 0 FFAELO COC(=O)c1ccccc1OCC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000182105577 510761055 /nfs/dbraw/zinc/76/10/55/510761055.db2.gz BAFZJJIMZADBOI-MRXNPFEDSA-N 1 2 362.451 2.690 10 0 FFAELO COC(=O)c1ccccc1OCC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000182105577 510761063 /nfs/dbraw/zinc/76/10/63/510761063.db2.gz BAFZJJIMZADBOI-MRXNPFEDSA-N 1 2 362.451 2.690 10 0 FFAELO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246994044 510789153 /nfs/dbraw/zinc/78/91/53/510789153.db2.gz NIOSJMSASIRXCV-JRGCBEDISA-N 1 2 350.462 2.876 10 0 FFAELO CC(=O)N(c1nc(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1)C1CC1 ZINC000247738794 510869405 /nfs/dbraw/zinc/86/94/05/510869405.db2.gz VUQVNAKOUIFBLU-CXAGYDPISA-N 1 2 359.499 2.938 10 0 FFAELO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)c(OC)c1 ZINC000330284728 510957226 /nfs/dbraw/zinc/95/72/26/510957226.db2.gz XXFOSIFRIOZUFZ-QRVBRYPASA-N 1 2 374.481 2.621 10 0 FFAELO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)c(OC)c1 ZINC000330284728 510957227 /nfs/dbraw/zinc/95/72/27/510957227.db2.gz XXFOSIFRIOZUFZ-QRVBRYPASA-N 1 2 374.481 2.621 10 0 FFAELO CCn1cc(NC(=O)C2CCN(c3nc(C)[nH+]c4c3CCCC4)CC2)cn1 ZINC000302093340 511707322 /nfs/dbraw/zinc/70/73/22/511707322.db2.gz NBCFHIGTFDGYDI-UHFFFAOYSA-N 1 2 368.485 2.735 10 0 FFAELO Cc1nc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2)oc1C ZINC000284774217 511863296 /nfs/dbraw/zinc/86/32/96/511863296.db2.gz JYYLQNXEEKFYHI-MSOLQXFVSA-N 1 2 370.453 2.895 10 0 FFAELO Cc1nc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)c2)oc1C ZINC000284774217 511863300 /nfs/dbraw/zinc/86/33/00/511863300.db2.gz JYYLQNXEEKFYHI-MSOLQXFVSA-N 1 2 370.453 2.895 10 0 FFAELO O=C(C[N@H+]1CC[C@@H](O)c2ccccc2C1)Nc1ccnn1C1CCCC1 ZINC000374805446 513012300 /nfs/dbraw/zinc/01/23/00/513012300.db2.gz IURJPDBEAWDMRF-GOSISDBHSA-N 1 2 354.454 2.876 10 0 FFAELO O=C(C[N@@H+]1CC[C@@H](O)c2ccccc2C1)Nc1ccnn1C1CCCC1 ZINC000374805446 513012304 /nfs/dbraw/zinc/01/23/04/513012304.db2.gz IURJPDBEAWDMRF-GOSISDBHSA-N 1 2 354.454 2.876 10 0 FFAELO CC(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1 ZINC000408237426 513028009 /nfs/dbraw/zinc/02/80/09/513028009.db2.gz QVQBIJBHELOHFR-DOTOQJQBSA-N 1 2 364.511 2.773 10 0 FFAELO CC(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1 ZINC000408237426 513028014 /nfs/dbraw/zinc/02/80/14/513028014.db2.gz QVQBIJBHELOHFR-DOTOQJQBSA-N 1 2 364.511 2.773 10 0 FFAELO Cc1cccc(Oc2ccccc2C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000441075824 513475679 /nfs/dbraw/zinc/47/56/79/513475679.db2.gz BTFJGIMZFZBPEP-QUCCMNQESA-N 1 2 352.434 2.942 10 0 FFAELO Cc1cccc(Oc2ccccc2C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000441075824 513475684 /nfs/dbraw/zinc/47/56/84/513475684.db2.gz BTFJGIMZFZBPEP-QUCCMNQESA-N 1 2 352.434 2.942 10 0 FFAELO CC[N@@H+]1CCC[C@@H](Nc2c(C(=O)[O-])c[nH+]c3c(OC)cc(OC)cc23)C1 ZINC000565545858 519011342 /nfs/dbraw/zinc/01/13/42/519011342.db2.gz YEFAVNFOROKLQC-GFCCVEGCSA-N 1 2 359.426 2.846 10 0 FFAELO CC[N@H+]1CCC[C@@H](Nc2c(C(=O)[O-])c[nH+]c3c(OC)cc(OC)cc23)C1 ZINC000565545858 519011345 /nfs/dbraw/zinc/01/13/45/519011345.db2.gz YEFAVNFOROKLQC-GFCCVEGCSA-N 1 2 359.426 2.846 10 0 FFAELO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000583617655 519342947 /nfs/dbraw/zinc/34/29/47/519342947.db2.gz ZEYYSBKICHPJCL-SJORKVTESA-N 1 2 352.438 2.920 10 0 FFAELO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000583617655 519342962 /nfs/dbraw/zinc/34/29/62/519342962.db2.gz ZEYYSBKICHPJCL-SJORKVTESA-N 1 2 352.438 2.920 10 0 FFAELO O=C(Cc1cccs1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275515147 527301888 /nfs/dbraw/zinc/30/18/88/527301888.db2.gz DOEKPKGZFUDHSG-OAHLLOKOSA-N 1 2 357.479 2.966 10 0 FFAELO CCC(CC)c1n[nH]c2c1CN(c1nc(N3CCC[C@H](O)C3)cc[nH+]1)CC2 ZINC000042489187 535162286 /nfs/dbraw/zinc/16/22/86/535162286.db2.gz KNKMSYMHHKLHKX-HNNXBMFYSA-N 1 2 370.501 2.627 10 0 FFAELO CCC(CC)c1[nH]nc2c1CN(c1nc(N3CCC[C@H](O)C3)cc[nH+]1)CC2 ZINC000042489187 535162296 /nfs/dbraw/zinc/16/22/96/535162296.db2.gz KNKMSYMHHKLHKX-HNNXBMFYSA-N 1 2 370.501 2.627 10 0 FFAELO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccccn3)C2)nc[nH+]1 ZINC000065311178 535520248 /nfs/dbraw/zinc/52/02/48/535520248.db2.gz ALGCJNYQGBAHBG-MRXNPFEDSA-N 1 2 368.485 2.616 10 0 FFAELO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccccn3)C2)[nH+]cn1 ZINC000065311178 535520255 /nfs/dbraw/zinc/52/02/55/535520255.db2.gz ALGCJNYQGBAHBG-MRXNPFEDSA-N 1 2 368.485 2.616 10 0 FFAELO O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1cccc2c1N=S=N2 ZINC000152475654 728759568 /nfs/dbraw/zinc/75/95/68/728759568.db2.gz DRHSZBATCZOEHE-ZDUSSCGKSA-N 1 2 355.423 2.900 10 0 FFAELO O=C(C[N@H+]1CC[C@H](Oc2cccnc2)C1)Nc1cccc2c1N=S=N2 ZINC000152475654 728759570 /nfs/dbraw/zinc/75/95/70/728759570.db2.gz DRHSZBATCZOEHE-ZDUSSCGKSA-N 1 2 355.423 2.900 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(Cn1c(=O)sc3c1CC[C@@H](C)C3)C2 ZINC000153027268 728771126 /nfs/dbraw/zinc/77/11/26/728771126.db2.gz IRQSQRVHMUCHBS-CYBMUJFWSA-N 1 2 360.527 2.907 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2SCC2CCCCC2)C1 ZINC000115351366 728565181 /nfs/dbraw/zinc/56/51/81/728565181.db2.gz MRRAMIJKJQJDRG-MRXNPFEDSA-N 1 2 363.527 2.814 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)c2cccnc2SCC2CCCCC2)C1 ZINC000115351366 728565183 /nfs/dbraw/zinc/56/51/83/728565183.db2.gz MRRAMIJKJQJDRG-MRXNPFEDSA-N 1 2 363.527 2.814 10 0 FFAELO CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000152149896 728748614 /nfs/dbraw/zinc/74/86/14/728748614.db2.gz GNPYNURFFLFWDE-GFCCVEGCSA-N 1 2 362.865 2.553 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1 ZINC000171705285 729011008 /nfs/dbraw/zinc/01/10/08/729011008.db2.gz NWIOETYMHNUDLG-OAHLLOKOSA-N 1 2 366.893 2.782 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1 ZINC000171705285 729011011 /nfs/dbraw/zinc/01/10/11/729011011.db2.gz NWIOETYMHNUDLG-OAHLLOKOSA-N 1 2 366.893 2.782 10 0 FFAELO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000829250642 745184780 /nfs/dbraw/zinc/18/47/80/745184780.db2.gz FIXNAIHPOYDGAK-UHFFFAOYSA-N 1 2 354.499 2.601 10 0 FFAELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C\c2cncc(O)c2)CC1 ZINC000588409341 963750976 /nfs/dbraw/zinc/75/09/76/963750976.db2.gz GLWUYHSJAOPAQN-YVACAVLKSA-N 1 2 355.413 2.845 10 0 FFAELO O=C(Nc1ncc(Cc2ccccc2)s1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173782524 996168388 /nfs/dbraw/zinc/16/83/88/996168388.db2.gz OKQQIORTVYKJNP-INIZCTEOSA-N 1 2 372.494 2.672 10 0 FFAELO O=C1NCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000055153814 205208091 /nfs/dbraw/zinc/20/80/91/205208091.db2.gz RFCQOEFAKMJBRU-IBGZPJMESA-N 1 2 364.424 2.759 10 0 FFAELO O=C1NCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000055153814 205208095 /nfs/dbraw/zinc/20/80/95/205208095.db2.gz RFCQOEFAKMJBRU-IBGZPJMESA-N 1 2 364.424 2.759 10 0 FFAELO Cc1nn(-c2ccc(C)cc2)cc1-c1ccnc(CC[NH+]2CCOCC2)n1 ZINC000072462224 205555731 /nfs/dbraw/zinc/55/57/31/205555731.db2.gz ULTKBLLDCAVBIL-UHFFFAOYSA-N 1 2 363.465 2.821 10 0 FFAELO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000195652432 206332309 /nfs/dbraw/zinc/33/23/09/206332309.db2.gz YVJSXKGHBBBDGK-NCOADZHNSA-N 1 2 361.486 2.937 10 0 FFAELO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000101862868 250091702 /nfs/dbraw/zinc/09/17/02/250091702.db2.gz RGHDCVOJLLDJDA-KDOFPFPSSA-N 1 2 352.438 2.955 10 0 FFAELO O=C(C[NH+]1CCC(Nc2cccnn2)CC1)Nc1cc(Cl)ccc1F ZINC000106082606 250233472 /nfs/dbraw/zinc/23/34/72/250233472.db2.gz RAPFFXIKHVFNKC-UHFFFAOYSA-N 1 2 363.824 2.784 10 0 FFAELO Cc1ncc(C[NH+]2CCN(CCC(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000106090098 250234859 /nfs/dbraw/zinc/23/48/59/250234859.db2.gz DJMIXQANWPWNNT-UHFFFAOYSA-N 1 2 362.474 2.737 10 0 FFAELO Cc1nc(CN2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)CC2)no1 ZINC000106147264 250242885 /nfs/dbraw/zinc/24/28/85/250242885.db2.gz KYCFAWYUIPONIL-INIZCTEOSA-N 1 2 371.485 2.530 10 0 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COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2CCCn3ncnc32)o1 ZINC000152742544 508507213 /nfs/dbraw/zinc/50/72/13/508507213.db2.gz WHGSURZCQVETSR-INIZCTEOSA-N 1 2 352.394 2.949 10 0 FFAELO CC(C)CNC(=O)[C@H](C)[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152898714 508529429 /nfs/dbraw/zinc/52/94/29/508529429.db2.gz DCNAJGDEVPPFPS-KRWDZBQOSA-N 1 2 370.497 2.620 10 0 FFAELO C[C@@H](CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1)[NH+]1CCOCC1 ZINC000134506733 508540864 /nfs/dbraw/zinc/54/08/64/508540864.db2.gz NEHXZNLIVVTNER-AWEZNQCLSA-N 1 2 359.857 2.853 10 0 FFAELO COc1ccccc1OC[C@@H](C)CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000153098266 508547698 /nfs/dbraw/zinc/54/76/98/508547698.db2.gz UEQPZIAWAAYOAB-JKSUJKDBSA-N 1 2 372.469 2.573 10 0 FFAELO COc1ccccc1OC[C@@H](C)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000153098266 508547702 /nfs/dbraw/zinc/54/77/02/508547702.db2.gz UEQPZIAWAAYOAB-JKSUJKDBSA-N 1 2 372.469 2.573 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2cc3c(C)nn(C)c3s2)C[C@H]1CC ZINC000116771549 508558547 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FFAELO O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000153627629 508611409 /nfs/dbraw/zinc/61/14/09/508611409.db2.gz VVNDYBCDWPWJRW-XLIONFOSSA-N 1 2 366.465 2.913 10 0 FFAELO C[C@H](CNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000158123042 508660355 /nfs/dbraw/zinc/66/03/55/508660355.db2.gz ZFIUKHIMFMEEMG-GUDVDZBRSA-N 1 2 354.535 2.979 10 0 FFAELO CCc1nnc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(C)c3)CCO2)[nH]1 ZINC000129163229 508691523 /nfs/dbraw/zinc/69/15/23/508691523.db2.gz IYEOBXQUPPPDDG-MRXNPFEDSA-N 1 2 352.442 2.639 10 0 FFAELO CCc1nnc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(C)c3)CCO2)[nH]1 ZINC000129163229 508691527 /nfs/dbraw/zinc/69/15/27/508691527.db2.gz IYEOBXQUPPPDDG-MRXNPFEDSA-N 1 2 352.442 2.639 10 0 FFAELO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000371455614 512411516 /nfs/dbraw/zinc/41/15/16/512411516.db2.gz DRRCEEBXECVNOK-INIZCTEOSA-N 1 2 353.426 2.688 10 0 FFAELO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000154151915 508726156 /nfs/dbraw/zinc/72/61/56/508726156.db2.gz TUFLPVPYYKETNV-HOTGVXAUSA-N 1 2 352.394 2.589 10 0 FFAELO C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123748409 508732533 /nfs/dbraw/zinc/73/25/33/508732533.db2.gz JKTUUFXHPGVQJS-LPHOPBHVSA-N 1 2 366.465 2.729 10 0 FFAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124700308 508871948 /nfs/dbraw/zinc/87/19/48/508871948.db2.gz GHSQNJCGOOQCMK-HNNXBMFYSA-N 1 2 374.441 2.664 10 0 FFAELO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124700308 508871949 /nfs/dbraw/zinc/87/19/49/508871949.db2.gz GHSQNJCGOOQCMK-HNNXBMFYSA-N 1 2 374.441 2.664 10 0 FFAELO C[C@H](CSc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000154932277 508885795 /nfs/dbraw/zinc/88/57/95/508885795.db2.gz SSXSCGSALKEUQW-CZUORRHYSA-N 1 2 352.475 2.533 10 0 FFAELO C[C@H](CSc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000154932277 508885798 /nfs/dbraw/zinc/88/57/98/508885798.db2.gz SSXSCGSALKEUQW-CZUORRHYSA-N 1 2 352.475 2.533 10 0 FFAELO Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1C ZINC000125387113 508975743 /nfs/dbraw/zinc/97/57/43/508975743.db2.gz FIDPOYZVXILNHS-LJQANCHMSA-N 1 2 374.506 2.740 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(CCc2cccc(F)c2)C2CCCC2)C1 ZINC000120553680 509020132 /nfs/dbraw/zinc/02/01/32/509020132.db2.gz QSPSUCBTHVOXOY-IBGZPJMESA-N 1 2 363.477 2.653 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)N(CCc2cccc(F)c2)C2CCCC2)C1 ZINC000120553680 509020139 /nfs/dbraw/zinc/02/01/39/509020139.db2.gz QSPSUCBTHVOXOY-IBGZPJMESA-N 1 2 363.477 2.653 10 0 FFAELO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cccc1-c1ccccn1 ZINC000133467314 509163185 /nfs/dbraw/zinc/16/31/85/509163185.db2.gz ICSSEFVJADMHIH-QGZVFWFLSA-N 1 2 351.450 2.604 10 0 FFAELO Cc1ccc(CCN(CC(F)(F)F)C(=O)c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000188630999 509182044 /nfs/dbraw/zinc/18/20/44/509182044.db2.gz USHKOFBVYSVNJA-UHFFFAOYSA-N 1 2 366.387 2.611 10 0 FFAELO O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172752013 509212984 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CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccc4ccccc4c3O)C2)CC1 ZINC000175993499 509261917 /nfs/dbraw/zinc/26/19/17/509261917.db2.gz NFPMINAUDIMLSO-SFHVURJKSA-N 1 2 367.493 2.788 10 0 FFAELO COC1(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CCCCC1 ZINC000185617602 509267629 /nfs/dbraw/zinc/26/76/29/509267629.db2.gz VLHUACHEAFOWTC-MRXNPFEDSA-N 1 2 366.527 2.929 10 0 FFAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)[nH]1 ZINC000162644914 509271918 /nfs/dbraw/zinc/27/19/18/509271918.db2.gz UKJAEPBJMRDDPM-SCLBCKFNSA-N 1 2 370.478 2.957 10 0 FFAELO CCCn1cc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000248452050 509328458 /nfs/dbraw/zinc/32/84/58/509328458.db2.gz PSKDAZMMZTWEQG-GOEBONIOSA-N 1 2 362.499 2.546 10 0 FFAELO CCCn1cc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000248452050 509328461 /nfs/dbraw/zinc/32/84/61/509328461.db2.gz PSKDAZMMZTWEQG-GOEBONIOSA-N 1 2 362.499 2.546 10 0 FFAELO O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1n[nH]c2c1C[NH2+]CC2 ZINC000188980173 509351826 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509639206 /nfs/dbraw/zinc/63/92/06/509639206.db2.gz KIOGYCQRSSLGLO-GJZGRUSLSA-N 1 2 353.466 2.862 10 0 FFAELO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C1 ZINC000249233059 509639209 /nfs/dbraw/zinc/63/92/09/509639209.db2.gz KIOGYCQRSSLGLO-GJZGRUSLSA-N 1 2 353.466 2.862 10 0 FFAELO CO[C@H](CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186366261 509672660 /nfs/dbraw/zinc/67/26/60/509672660.db2.gz CDKOEBMUYPTTDZ-GOSISDBHSA-N 1 2 354.454 2.691 10 0 FFAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)N1CCCc2ccccc21 ZINC000173628604 509683671 /nfs/dbraw/zinc/68/36/71/509683671.db2.gz HZTCNCKLCMFYSY-GJZGRUSLSA-N 1 2 353.470 2.633 10 0 FFAELO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186388565 509684300 /nfs/dbraw/zinc/68/43/00/509684300.db2.gz OFWZWAONRONHQA-KRWDZBQOSA-N 1 2 372.513 2.595 10 0 FFAELO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186407777 509695477 /nfs/dbraw/zinc/69/54/77/509695477.db2.gz USPDCTFYDGXKTM-OALUTQOASA-N 1 2 351.450 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FFAELO CCn1cc(NC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000176927294 509769293 /nfs/dbraw/zinc/76/92/93/509769293.db2.gz LOWGERLHUBQQLN-HIFRSBDPSA-N 1 2 363.487 2.548 10 0 FFAELO CCn1cc(NC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cn1 ZINC000176927294 509769301 /nfs/dbraw/zinc/76/93/01/509769301.db2.gz LOWGERLHUBQQLN-HIFRSBDPSA-N 1 2 363.487 2.548 10 0 FFAELO O=C(Nc1ccc(-c2nccs2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173781778 509774024 /nfs/dbraw/zinc/77/40/24/509774024.db2.gz FMFQLFRQPSJZOZ-MRXNPFEDSA-N 1 2 358.467 2.749 10 0 FFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000176951284 509781751 /nfs/dbraw/zinc/78/17/51/509781751.db2.gz YZVFSCWUMHLIEE-UHFFFAOYSA-N 1 2 356.831 2.863 10 0 FFAELO CCCOc1ccc(Cl)cc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000176953043 509782426 /nfs/dbraw/zinc/78/24/26/509782426.db2.gz TWGQFTLKNXFYOB-WMLDXEAASA-N 1 2 366.889 2.922 10 0 FFAELO CCSc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173814367 509793700 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10 0 FFAELO Cc1sc(-c2ccco2)nc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173838790 509809307 /nfs/dbraw/zinc/80/93/07/509809307.db2.gz ZVBZYVWWHHDMEM-TZMCWYRMSA-N 1 2 361.467 2.504 10 0 FFAELO C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000173873162 509827652 /nfs/dbraw/zinc/82/76/52/509827652.db2.gz USRXPMKUFLNIHL-PBHICJAKSA-N 1 2 358.413 2.878 10 0 FFAELO C[C@@H]1CN(C(=O)c2cc(Cl)cc3cccnc32)C[C@@H]1[NH+]1CCOCC1 ZINC000173876833 509828503 /nfs/dbraw/zinc/82/85/03/509828503.db2.gz AHCTUKLOPGATTM-DYVFJYSZSA-N 1 2 359.857 2.681 10 0 FFAELO CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(N(C)c3cccnn3)CC2)n1 ZINC000173884173 509834198 /nfs/dbraw/zinc/83/41/98/509834198.db2.gz BDKOJQZYRXQLFB-HNNXBMFYSA-N 1 2 374.489 2.694 10 0 FFAELO CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173894804 509840772 /nfs/dbraw/zinc/84/07/72/509840772.db2.gz CDUDUKBMTWVLGS-VQTJNVASSA-N 1 2 359.514 2.904 10 0 FFAELO Cc1cccc(OC(F)F)c1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173901317 509843140 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0 FFAELO Cc1ccc(CC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cc1O ZINC000180349081 509880228 /nfs/dbraw/zinc/88/02/28/509880228.db2.gz WSABUBGNWPIKRL-NVXWUHKLSA-N 1 2 374.506 2.883 10 0 FFAELO Cc1ccc(CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cc1O ZINC000180349081 509880233 /nfs/dbraw/zinc/88/02/33/509880233.db2.gz WSABUBGNWPIKRL-NVXWUHKLSA-N 1 2 374.506 2.883 10 0 FFAELO CCc1cc(N[C@H]2CCCn3nc(COC)nc32)nc(-c2ccncc2)[nH+]1 ZINC000268372666 509894959 /nfs/dbraw/zinc/89/49/59/509894959.db2.gz GXVOESBSYXFYJZ-HNNXBMFYSA-N 1 2 365.441 2.786 10 0 FFAELO COCCn1cc(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000174013073 509902656 /nfs/dbraw/zinc/90/26/56/509902656.db2.gz QGLROWMHDSWDEY-CQSZACIVSA-N 1 2 354.414 2.598 10 0 FFAELO C/C=C\c1ccc(OCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(OC)c1 ZINC000255574323 509930625 /nfs/dbraw/zinc/93/06/25/509930625.db2.gz CCKFKWXROKRINA-MAVJXHJTSA-N 1 2 355.438 2.995 10 0 FFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)c(F)c3F)CC2)cn1 ZINC000177200060 509934476 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CCOCC[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)C[C@H]1C ZINC000177284767 509977300 /nfs/dbraw/zinc/97/73/00/509977300.db2.gz LYSQAHDVXPRYDN-OAHLLOKOSA-N 1 2 359.470 2.780 10 0 FFAELO COC(=O)c1ccccc1CCN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000186966013 509977981 /nfs/dbraw/zinc/97/79/81/509977981.db2.gz FYMCREBGLZZNDL-UHFFFAOYSA-N 1 2 359.495 2.598 10 0 FFAELO CCCN1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1=O ZINC000190194505 509999202 /nfs/dbraw/zinc/99/92/02/509999202.db2.gz JPSNJZJTGCOGBP-INIZCTEOSA-N 1 2 369.469 2.587 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2C(C)C)[NH+]2CCOCC2)s1 ZINC000193669487 510013326 /nfs/dbraw/zinc/01/33/26/510013326.db2.gz FBCDYBVPRAAGPG-OAHLLOKOSA-N 1 2 362.499 2.706 10 0 FFAELO CCC(=O)c1cccc(NC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c1 ZINC000180631026 510023884 /nfs/dbraw/zinc/02/38/84/510023884.db2.gz QHFGJCZGNNAPAV-LJQANCHMSA-N 1 2 372.513 2.913 10 0 FFAELO COc1cc(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)ccc1F ZINC000187044675 510024521 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FFAELO COc1ccc(O[C@H](C)CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177576233 510141689 /nfs/dbraw/zinc/14/16/89/510141689.db2.gz AWAYMRROWIGMEK-HZPDHXFCSA-N 1 2 358.442 2.533 10 0 FFAELO O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184117862 510144071 /nfs/dbraw/zinc/14/40/71/510144071.db2.gz MMNGENOKVHCMKO-UHFFFAOYSA-N 1 2 365.437 2.711 10 0 FFAELO CC(C)Oc1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c(Cl)c1 ZINC000187244907 510146376 /nfs/dbraw/zinc/14/63/76/510146376.db2.gz HSCAMGQTPDAABJ-ZDUSSCGKSA-N 1 2 355.866 2.969 10 0 FFAELO CCC1(CNC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)CC1 ZINC000177591309 510149922 /nfs/dbraw/zinc/14/99/22/510149922.db2.gz SWLGOLCPHVDZNM-HNNXBMFYSA-N 1 2 351.516 2.919 10 0 FFAELO Cc1cc(Br)ccc1CN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000245809534 510154183 /nfs/dbraw/zinc/15/41/83/510154183.db2.gz ZCVQKMZYAGOUQO-YOEHRIQHSA-N 1 2 353.304 2.910 10 0 FFAELO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)no1 ZINC000245864833 510176776 /nfs/dbraw/zinc/17/67/76/510176776.db2.gz SUOGREIIBGRVCD-YPMHNXCESA-N 1 2 364.396 2.938 10 0 FFAELO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)no1 ZINC000245864833 510176786 /nfs/dbraw/zinc/17/67/86/510176786.db2.gz SUOGREIIBGRVCD-YPMHNXCESA-N 1 2 364.396 2.938 10 0 FFAELO CC(C)c1noc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000171501152 510194252 /nfs/dbraw/zinc/19/42/52/510194252.db2.gz ZZYWDEHZSYAULB-CQSZACIVSA-N 1 2 350.488 2.760 10 0 FFAELO CC(C)c1noc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000171501152 510194256 /nfs/dbraw/zinc/19/42/56/510194256.db2.gz ZZYWDEHZSYAULB-CQSZACIVSA-N 1 2 350.488 2.760 10 0 FFAELO c1cnn(C[C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000171511087 510199746 /nfs/dbraw/zinc/19/97/46/510199746.db2.gz MBADHORADCIUCM-NRFANRHFSA-N 1 2 364.449 2.758 10 0 FFAELO c1cnn(C[C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000171511087 510199750 /nfs/dbraw/zinc/19/97/50/510199750.db2.gz MBADHORADCIUCM-NRFANRHFSA-N 1 2 364.449 2.758 10 0 FFAELO C[C@H](NC(=O)N[C@@H](CCO)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187338963 510204569 /nfs/dbraw/zinc/20/45/69/510204569.db2.gz XIKJNEXRCAGLNR-YOEHRIQHSA-N 1 2 354.410 2.949 10 0 FFAELO C[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1nc2ccccc2[nH]1 ZINC000184261451 510226229 /nfs/dbraw/zinc/22/62/29/510226229.db2.gz KWKYUCFQWGTJES-HNNXBMFYSA-N 1 2 364.453 2.941 10 0 FFAELO O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177750598 510233786 /nfs/dbraw/zinc/23/37/86/510233786.db2.gz SZZOHIIXBNUYJM-ZDUSSCGKSA-N 1 2 357.364 2.652 10 0 FFAELO O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184297448 510246346 /nfs/dbraw/zinc/24/63/46/510246346.db2.gz UWZVNOBJYTVUJA-UYAOXDASSA-N 1 2 366.465 2.834 10 0 FFAELO COc1cccc2c1CC[C@H]2NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184300452 510246569 /nfs/dbraw/zinc/24/65/69/510246569.db2.gz RNSYFJPJIJGQPK-GOSISDBHSA-N 1 2 366.465 2.999 10 0 FFAELO CC(C)Oc1cc(CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)ccn1 ZINC000184302194 510248520 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CCn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccc(C(C)=O)cc3)CCO2)cn1 ZINC000190817866 510358287 /nfs/dbraw/zinc/35/82/87/510358287.db2.gz NFXGKXROXSVTJP-LJQANCHMSA-N 1 2 370.453 2.508 10 0 FFAELO CCn1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(C(C)=O)cc3)CCO2)cn1 ZINC000190817866 510358295 /nfs/dbraw/zinc/35/82/95/510358295.db2.gz NFXGKXROXSVTJP-LJQANCHMSA-N 1 2 370.453 2.508 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1cccc3c1OCCO3)C2 ZINC000184514307 510366405 /nfs/dbraw/zinc/36/64/05/510366405.db2.gz KJJFBUZUCLJUON-UHFFFAOYSA-N 1 2 356.426 2.905 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2oc(-c3ccccc3)nc2C)C[C@H]1C ZINC000174953020 510403168 /nfs/dbraw/zinc/40/31/68/510403168.db2.gz VUBBKBNJSHYTBE-OAHLLOKOSA-N 1 2 357.454 2.833 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2oc(-c3ccccc3)nc2C)C[C@H]1C ZINC000174953020 510403179 /nfs/dbraw/zinc/40/31/79/510403179.db2.gz VUBBKBNJSHYTBE-OAHLLOKOSA-N 1 2 357.454 2.833 10 0 FFAELO C[C@H](C1CC1)N(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000246286429 510407187 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DELAKWGXCGKSQU-UHFFFAOYSA-N 1 2 359.470 2.967 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N(C)Cc1ccccc1F)C2 ZINC000106370540 508400060 /nfs/dbraw/zinc/40/00/60/508400060.db2.gz GKRWCMHAZMZMSN-UHFFFAOYSA-N 1 2 358.461 2.699 10 0 FFAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000156458641 508423271 /nfs/dbraw/zinc/42/32/71/508423271.db2.gz ZWVWXHJHYOKYAQ-NSHDSACASA-N 1 2 369.391 2.702 10 0 FFAELO C[C@@H](CNC(=O)c1ccc(Cl)cc1Br)[NH+]1CCOCC1 ZINC000121916511 508448326 /nfs/dbraw/zinc/44/83/26/508448326.db2.gz FXNUAWHYXTWSCE-JTQLQIEISA-N 1 2 361.667 2.553 10 0 FFAELO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152498101 508458419 /nfs/dbraw/zinc/45/84/19/508458419.db2.gz KQGBNVLBGAFTEX-WBVHZDCISA-N 1 2 355.438 2.961 10 0 FFAELO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152498101 508458424 /nfs/dbraw/zinc/45/84/24/508458424.db2.gz KQGBNVLBGAFTEX-WBVHZDCISA-N 1 2 355.438 2.961 10 0 FFAELO CNC(=O)c1cccc(CCNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)c1 ZINC000156715742 508466511 /nfs/dbraw/zinc/46/65/11/508466511.db2.gz GRUQORSRKMGHBW-HNNXBMFYSA-N 1 2 353.470 2.727 10 0 FFAELO CNC(=O)c1cccc(CCNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)c1 ZINC000156715742 508466517 /nfs/dbraw/zinc/46/65/17/508466517.db2.gz GRUQORSRKMGHBW-HNNXBMFYSA-N 1 2 353.470 2.727 10 0 FFAELO C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000127669495 508484020 /nfs/dbraw/zinc/48/40/20/508484020.db2.gz XIICMXIYFDNTMX-DZKIICNBSA-N 1 2 373.419 2.568 10 0 FFAELO COc1cc2nc(C[N@@H+]3CCC[C@H]3c3ccco3)[nH]c(=O)c2cc1OC ZINC000116289303 508495056 /nfs/dbraw/zinc/49/50/56/508495056.db2.gz TXJDJNLVFVREIW-AWEZNQCLSA-N 1 2 355.394 2.870 10 0 FFAELO COc1cc2nc(C[N@H+]3CCC[C@H]3c3ccco3)[nH]c(=O)c2cc1OC ZINC000116289303 508495057 /nfs/dbraw/zinc/49/50/57/508495057.db2.gz TXJDJNLVFVREIW-AWEZNQCLSA-N 1 2 355.394 2.870 10 0 FFAELO O=C(Nc1cccnc1-c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000157221773 508539690 /nfs/dbraw/zinc/53/96/90/508539690.db2.gz UOOWMIGWGYRNID-KRWDZBQOSA-N 1 2 352.438 2.687 10 0 FFAELO COc1ccccc1OC[C@H](C)CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000153098384 508547677 /nfs/dbraw/zinc/54/76/77/508547677.db2.gz UEQPZIAWAAYOAB-HZPDHXFCSA-N 1 2 372.469 2.573 10 0 FFAELO COc1ccccc1OC[C@H](C)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000153098384 508547683 /nfs/dbraw/zinc/54/76/83/508547683.db2.gz UEQPZIAWAAYOAB-HZPDHXFCSA-N 1 2 372.469 2.573 10 0 FFAELO Cc1c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cccc1-c1ccccn1 ZINC000122539453 508551274 /nfs/dbraw/zinc/55/12/74/508551274.db2.gz QBPUBLMCXNALCO-KRWDZBQOSA-N 1 2 351.450 2.650 10 0 FFAELO Cc1c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cccc1-c1ccccn1 ZINC000122539453 508551278 /nfs/dbraw/zinc/55/12/78/508551278.db2.gz QBPUBLMCXNALCO-KRWDZBQOSA-N 1 2 351.450 2.650 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C[C@@H]1CC ZINC000116771562 508558680 /nfs/dbraw/zinc/55/86/80/508558680.db2.gz WFDLUFBHQLHRSP-KRWDZBQOSA-N 1 2 374.460 2.789 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C[C@@H]1CC ZINC000116771562 508558682 /nfs/dbraw/zinc/55/86/82/508558682.db2.gz WFDLUFBHQLHRSP-KRWDZBQOSA-N 1 2 374.460 2.789 10 0 FFAELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC(Cn2cccn2)CC1 ZINC000122596320 508559897 /nfs/dbraw/zinc/55/98/97/508559897.db2.gz RLZWJYKDXCZQEN-UHFFFAOYSA-N 1 2 368.485 2.500 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(S(=O)(=O)CC(CC)CC)CC2)cn1 ZINC000153275528 508566711 /nfs/dbraw/zinc/56/67/11/508566711.db2.gz NHVWTYDNIAJFCQ-UHFFFAOYSA-N 1 2 370.563 2.567 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(S(=O)(=O)CC(CC)CC)CC2)cn1 ZINC000153275528 508566716 /nfs/dbraw/zinc/56/67/16/508566716.db2.gz NHVWTYDNIAJFCQ-UHFFFAOYSA-N 1 2 370.563 2.567 10 0 FFAELO Cc1ccc(-n2cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)c(C(C)(C)C)n2)cc1 ZINC000128258122 508568753 /nfs/dbraw/zinc/56/87/53/508568753.db2.gz SBYAYZKNVNQHIT-KRWDZBQOSA-N 1 2 370.497 2.539 10 0 FFAELO Cc1ccc(-n2cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)c(C(C)(C)C)n2)cc1 ZINC000128258122 508568756 /nfs/dbraw/zinc/56/87/56/508568756.db2.gz SBYAYZKNVNQHIT-KRWDZBQOSA-N 1 2 370.497 2.539 10 0 FFAELO CCOc1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCOCC4)C3)co2)cc1 ZINC000153563633 508598841 /nfs/dbraw/zinc/59/88/41/508598841.db2.gz NOCTZIPBHXZRPQ-GOSISDBHSA-N 1 2 357.454 2.647 10 0 FFAELO CCc1cc(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)oc1CC ZINC000128491702 508600347 /nfs/dbraw/zinc/60/03/47/508600347.db2.gz JKGVEOFQXNJXQM-AWEZNQCLSA-N 1 2 357.458 2.635 10 0 FFAELO CCc1cc(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)oc1CC ZINC000128491702 508600351 /nfs/dbraw/zinc/60/03/51/508600351.db2.gz JKGVEOFQXNJXQM-AWEZNQCLSA-N 1 2 357.458 2.635 10 0 FFAELO Cc1nc(CC(C)C)c(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)s1 ZINC000135449044 508606282 /nfs/dbraw/zinc/60/62/82/508606282.db2.gz OQEFUJZIDPDVRV-BBRMVZONSA-N 1 2 366.531 2.834 10 0 FFAELO C[C@H]1CCCN(c2cc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)nc[nH+]2)C1 ZINC000153811532 508654307 /nfs/dbraw/zinc/65/43/07/508654307.db2.gz CMYYDVAPKSPION-LSDHHAIUSA-N 1 2 361.490 2.816 10 0 FFAELO C[C@H]1CCCN(c2cc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)[nH+]cn2)C1 ZINC000153811532 508654309 /nfs/dbraw/zinc/65/43/09/508654309.db2.gz CMYYDVAPKSPION-LSDHHAIUSA-N 1 2 361.490 2.816 10 0 FFAELO Cc1nc(CN2CCC[N@H+](Cc3ncc(-c4ccccc4F)o3)CC2)no1 ZINC000119207749 508748575 /nfs/dbraw/zinc/74/85/75/508748575.db2.gz BOYFRMWKTFCYQV-UHFFFAOYSA-N 1 2 371.416 2.880 10 0 FFAELO Cc1nc(CN2CCC[N@@H+](Cc3ncc(-c4ccccc4F)o3)CC2)no1 ZINC000119207749 508748577 /nfs/dbraw/zinc/74/85/77/508748577.db2.gz BOYFRMWKTFCYQV-UHFFFAOYSA-N 1 2 371.416 2.880 10 0 FFAELO Cc1ccccc1-c1nc(CS(=O)(=O)Cc2[nH+]ccn2C(C)C)no1 ZINC000159321645 508824188 /nfs/dbraw/zinc/82/41/88/508824188.db2.gz IVVWERARWMRUCI-UHFFFAOYSA-N 1 2 360.439 2.937 10 0 FFAELO Cc1ccc([C@H]2CN(C(=O)NCc3cn4c(cccc4C)[nH+]3)CCO2)o1 ZINC000119882905 508883534 /nfs/dbraw/zinc/88/35/34/508883534.db2.gz LOVKVCLAPPSLJZ-QGZVFWFLSA-N 1 2 354.410 2.827 10 0 FFAELO COc1ccc(OC)c(/C=C/C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000124880370 508899602 /nfs/dbraw/zinc/89/96/02/508899602.db2.gz RCFGJNJIWRKLPX-ZZXKWVIFSA-N 1 2 364.405 2.614 10 0 FFAELO O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120180678 508944952 /nfs/dbraw/zinc/94/49/52/508944952.db2.gz YWBRACVUSPZLQD-DZGCQCFKSA-N 1 2 356.451 2.966 10 0 FFAELO COc1ccccc1-c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000151128141 508962680 /nfs/dbraw/zinc/96/26/80/508962680.db2.gz OVYXMMQAXPKEMT-QGZVFWFLSA-N 1 2 355.438 2.814 10 0 FFAELO COc1ccccc1-c1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000151128141 508962682 /nfs/dbraw/zinc/96/26/82/508962682.db2.gz OVYXMMQAXPKEMT-QGZVFWFLSA-N 1 2 355.438 2.814 10 0 FFAELO COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000120525014 509013543 /nfs/dbraw/zinc/01/35/43/509013543.db2.gz DCXJMLOFSBBQGW-FSNWXROXSA-N 1 2 369.465 2.932 10 0 FFAELO O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121041629 509116404 /nfs/dbraw/zinc/11/64/04/509116404.db2.gz FIGPOTYWMIDEIO-FUHWJXTLSA-N 1 2 351.830 2.884 10 0 FFAELO O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121041629 509116410 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C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247958047 509199166 /nfs/dbraw/zinc/19/91/66/509199166.db2.gz DLGOZLRJYSPATN-VXGBXAGGSA-N 1 2 372.296 2.710 10 0 FFAELO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247958047 509199176 /nfs/dbraw/zinc/19/91/76/509199176.db2.gz DLGOZLRJYSPATN-VXGBXAGGSA-N 1 2 372.296 2.710 10 0 FFAELO COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507356 509200473 /nfs/dbraw/zinc/20/04/73/509200473.db2.gz RYVRSMPKEDZGKV-UHFFFAOYSA-N 1 2 362.861 2.568 10 0 FFAELO CCCOc1ccc(CNC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195507414 509200560 /nfs/dbraw/zinc/20/05/60/509200560.db2.gz SPLVEMFNCBBEBK-UHFFFAOYSA-N 1 2 356.470 2.694 10 0 FFAELO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172747308 509208932 /nfs/dbraw/zinc/20/89/32/509208932.db2.gz RTUZXXVVZCOMKJ-QGZVFWFLSA-N 1 2 371.506 2.589 10 0 FFAELO Cc1ccc(C)c(OCCCCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000172746911 509209489 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C[C@@H]1C[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)O1 ZINC000192060079 509325044 /nfs/dbraw/zinc/32/50/44/509325044.db2.gz NSJXYOJXGKBREX-LALPHHSUSA-N 1 2 353.260 2.664 10 0 FFAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000248561205 509364802 /nfs/dbraw/zinc/36/48/02/509364802.db2.gz MNXYMTODLISGGN-KURKYZTESA-N 1 2 363.546 2.604 10 0 FFAELO COc1cc(C[NH+]2CCN(c3cc(C)[nH]n3)CC2)cc(Cl)c1OC ZINC000189018337 509370223 /nfs/dbraw/zinc/37/02/23/509370223.db2.gz VWDBXBACMIETPX-UHFFFAOYSA-N 1 2 350.850 2.711 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@](C)(O)[C@H](C)c3ccccc3)CC2)s1 ZINC000176274356 509415527 /nfs/dbraw/zinc/41/55/27/509415527.db2.gz WXCUZKGJKPVUQZ-QRWLVFNGSA-N 1 2 373.522 2.650 10 0 FFAELO COc1ccc(-n2ccc(CN[C@@H](c3[nH]cc[nH+]3)c3ccncc3)n2)cc1 ZINC000189112159 509416683 /nfs/dbraw/zinc/41/66/83/509416683.db2.gz GNNFVCAXKAFTGU-LJQANCHMSA-N 1 2 360.421 2.878 10 0 FFAELO CC[C@H](C)Oc1cc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)ccn1 ZINC000248655117 509422504 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FFAELO COC(=O)C1CCC(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000179504416 509483468 /nfs/dbraw/zinc/48/34/68/509483468.db2.gz XSDXIOYCSJLEOA-SEEARECTSA-N 1 2 368.424 2.663 10 0 FFAELO C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1nnc2n1CCCC2 ZINC000189254673 509485532 /nfs/dbraw/zinc/48/55/32/509485532.db2.gz DABJIMPZVPBZSF-AWEZNQCLSA-N 1 2 354.433 2.849 10 0 FFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)CCc2ccc(O)cc2)c2cccs2)CCO1 ZINC000248870359 509519167 /nfs/dbraw/zinc/51/91/67/509519167.db2.gz JVEJBWMFNBYCOE-MAUKXSAKSA-N 1 2 374.506 2.965 10 0 FFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)CCc2ccc(O)cc2)c2cccs2)CCO1 ZINC000248870359 509519177 /nfs/dbraw/zinc/51/91/77/509519177.db2.gz JVEJBWMFNBYCOE-MAUKXSAKSA-N 1 2 374.506 2.965 10 0 FFAELO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nc(-c3ccco3)cs2)cn1 ZINC000173316647 509528756 /nfs/dbraw/zinc/52/87/56/509528756.db2.gz YAYYRWLPFWQHBA-AWEZNQCLSA-N 1 2 357.439 2.912 10 0 FFAELO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2nc(-c3ccco3)cs2)cn1 ZINC000173316647 509528761 /nfs/dbraw/zinc/52/87/61/509528761.db2.gz YAYYRWLPFWQHBA-AWEZNQCLSA-N 1 2 357.439 2.912 10 0 FFAELO CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000176469975 509529002 /nfs/dbraw/zinc/52/90/02/509529002.db2.gz UMKZROZCLATNQB-CYBMUJFWSA-N 1 2 357.458 2.609 10 0 FFAELO CC(C)c1cc(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)[nH]n1 ZINC000176519222 509558175 /nfs/dbraw/zinc/55/81/75/509558175.db2.gz MKIMFEXRVFHXPF-MRXNPFEDSA-N 1 2 362.499 2.740 10 0 FFAELO CCCCO[C@H](C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176533803 509568726 /nfs/dbraw/zinc/56/87/26/509568726.db2.gz NEOXWTUBMPDPHQ-CVEARBPZSA-N 1 2 354.516 2.785 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc[nH]c1=S ZINC000176536607 509570439 /nfs/dbraw/zinc/57/04/39/509570439.db2.gz MKPURVOSRUGYOQ-CQSZACIVSA-N 1 2 363.508 2.951 10 0 FFAELO O=C(CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000179691173 509575060 /nfs/dbraw/zinc/57/50/60/509575060.db2.gz SVFGIVAGJQWRAI-OAQYLSRUSA-N 1 2 356.441 2.750 10 0 FFAELO O=C(CC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000179691173 509575064 /nfs/dbraw/zinc/57/50/64/509575064.db2.gz SVFGIVAGJQWRAI-OAQYLSRUSA-N 1 2 356.441 2.750 10 0 FFAELO CO[C@@H](C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1)c1ccccc1 ZINC000176555105 509581551 /nfs/dbraw/zinc/58/15/51/509581551.db2.gz YCAGKGLHYTXKHD-PKOBYXMFSA-N 1 2 374.506 2.934 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccc(C)cc2)nc[nH+]1 ZINC000173422412 509587676 /nfs/dbraw/zinc/58/76/76/509587676.db2.gz ABWZPWQHDBDPJW-QGZVFWFLSA-N 1 2 368.485 2.637 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccc(C)cc2)[nH+]cn1 ZINC000173422412 509587681 /nfs/dbraw/zinc/58/76/81/509587681.db2.gz ABWZPWQHDBDPJW-QGZVFWFLSA-N 1 2 368.485 2.637 10 0 FFAELO Cc1ccc(CS(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000249062457 509588308 /nfs/dbraw/zinc/58/83/08/509588308.db2.gz YTJJSQOFCBQXCZ-PBHICJAKSA-N 1 2 351.447 2.744 10 0 FFAELO CCCCS[C@H](C)C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173427083 509591981 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1 2 359.478 2.885 10 0 FFAELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)c1nnc2n1CCCC2 ZINC000173624447 509682229 /nfs/dbraw/zinc/68/22/29/509682229.db2.gz HFBSWHXJAOGZAW-KGLIPLIRSA-N 1 2 364.453 2.840 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC000170683814 509719775 /nfs/dbraw/zinc/71/97/75/509719775.db2.gz ZNELBZPVEUAAFP-KRWDZBQOSA-N 1 2 350.890 2.989 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC000170683814 509719780 /nfs/dbraw/zinc/71/97/80/509719780.db2.gz ZNELBZPVEUAAFP-KRWDZBQOSA-N 1 2 350.890 2.989 10 0 FFAELO FC(F)(F)COc1ccccc1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000173694609 509725861 /nfs/dbraw/zinc/72/58/61/509725861.db2.gz AKKSQDINRPVLPA-OAHLLOKOSA-N 1 2 355.360 2.725 10 0 FFAELO FC(F)(F)COc1ccccc1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000173694609 509725866 /nfs/dbraw/zinc/72/58/66/509725866.db2.gz AKKSQDINRPVLPA-OAHLLOKOSA-N 1 2 355.360 2.725 10 0 FFAELO Cc1ccccc1CCNC(=O)[C@H](C)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176886476 509743693 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ZINC000247773114 510870063 /nfs/dbraw/zinc/87/00/63/510870063.db2.gz PTKFUPMYKSIVOC-UONOGXRCSA-N 1 2 350.488 2.760 10 0 FFAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)C[C@H]21 ZINC000332967504 511164324 /nfs/dbraw/zinc/16/43/24/511164324.db2.gz GTKBQIVEKHIWTF-YQVWRLOYSA-N 1 2 371.481 2.547 10 0 FFAELO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)C[C@H]21 ZINC000332967504 511164332 /nfs/dbraw/zinc/16/43/32/511164332.db2.gz GTKBQIVEKHIWTF-YQVWRLOYSA-N 1 2 371.481 2.547 10 0 FFAELO COc1cc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c(C)cc1C ZINC000280419950 511458903 /nfs/dbraw/zinc/45/89/03/511458903.db2.gz CZIDWCYPXMMPBF-INIZCTEOSA-N 1 2 357.458 2.566 10 0 FFAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)C[C@@H]21 ZINC000284676827 511820698 /nfs/dbraw/zinc/82/06/98/511820698.db2.gz IAZWMSLVVUPQOP-IRXDYDNUSA-N 1 2 360.841 2.744 10 0 FFAELO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)C[C@@H]21 ZINC000284676827 511820703 /nfs/dbraw/zinc/82/07/03/511820703.db2.gz 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C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328644621 511906211 /nfs/dbraw/zinc/90/62/11/511906211.db2.gz RXOMKNPOGAMECZ-VNQPRFMTSA-N 1 2 362.474 2.694 10 0 FFAELO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328644621 511906216 /nfs/dbraw/zinc/90/62/16/511906216.db2.gz RXOMKNPOGAMECZ-VNQPRFMTSA-N 1 2 362.474 2.694 10 0 FFAELO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189583 513018038 /nfs/dbraw/zinc/01/80/38/513018038.db2.gz OZXIIJRWWDCFIJ-USRAEIGSSA-N 1 2 350.425 2.705 10 0 FFAELO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189583 513018041 /nfs/dbraw/zinc/01/80/41/513018041.db2.gz OZXIIJRWWDCFIJ-USRAEIGSSA-N 1 2 350.425 2.705 10 0 FFAELO Nc1c[nH+]c2c(Br)ccc(I)c2c1N ZINC000584882543 518521634 /nfs/dbraw/zinc/52/16/34/518521634.db2.gz JZEPDGRQOFTLFO-UHFFFAOYSA-N 1 2 363.984 2.597 10 0 FFAELO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@@H](c3cnn(C)c3)C2)nc[nH+]1 ZINC000275508815 519807008 /nfs/dbraw/zinc/80/70/08/519807008.db2.gz BNFHGPBWDPWUCS-MDYRTPRTSA-N 1 2 370.501 2.820 10 0 FFAELO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@@H](c3cnn(C)c3)C2)[nH+]cn1 ZINC000275508815 519807009 /nfs/dbraw/zinc/80/70/09/519807009.db2.gz BNFHGPBWDPWUCS-MDYRTPRTSA-N 1 2 370.501 2.820 10 0 FFAELO O=S(=O)(c1ccccc1)N1CC[NH2+][C@@H](c2ccc3ncccc3c2)C1 ZINC000616602722 520077169 /nfs/dbraw/zinc/07/71/69/520077169.db2.gz MOUKEFICLLJIRI-LJQANCHMSA-N 1 2 353.447 2.570 10 0 FFAELO CCc1nc2ccccc2c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1C ZINC000620469148 522249165 /nfs/dbraw/zinc/24/91/65/522249165.db2.gz MTUMOOPHAOWRHP-INIZCTEOSA-N 1 2 353.466 2.652 10 0 FFAELO Cc1ncc(C[NH+]2CCN(Cn3nc(C(C)C)n(C)c3=S)CC2)s1 ZINC000111165229 728534727 /nfs/dbraw/zinc/53/47/27/728534727.db2.gz UTGWAIZSTKXNNC-UHFFFAOYSA-N 1 2 366.560 2.615 10 0 FFAELO Cc1nn(C[NH+]2CCC(c3ccnn3C)CC2)c(C)c1Br ZINC000152208563 728749716 /nfs/dbraw/zinc/74/97/16/728749716.db2.gz UXNRVJLZOAJYOR-UHFFFAOYSA-N 1 2 352.280 2.833 10 0 FFAELO O[C@@H](CN1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000170935715 728992805 /nfs/dbraw/zinc/99/28/05/728992805.db2.gz RQEQDISQNVYITL-VQTJNVASSA-N 1 2 360.885 2.725 10 0 FFAELO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000333975568 729813029 /nfs/dbraw/zinc/81/30/29/729813029.db2.gz YHLZJYDYIGLDEV-PVAVHDDUSA-N 1 2 364.511 2.728 10 0 FFAELO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000333975568 729813031 /nfs/dbraw/zinc/81/30/31/729813031.db2.gz YHLZJYDYIGLDEV-PVAVHDDUSA-N 1 2 364.511 2.728 10 0 FFAELO COCC[N@H+](CC(=O)c1sccc1Br)[C@H](C)COC ZINC000042608900 205097131 /nfs/dbraw/zinc/09/71/31/205097131.db2.gz NFQQPUCFWVHMEL-SNVBAGLBSA-N 1 2 350.278 2.677 10 0 FFAELO COCC[N@@H+](CC(=O)c1sccc1Br)[C@H](C)COC ZINC000042608900 205097134 /nfs/dbraw/zinc/09/71/34/205097134.db2.gz NFQQPUCFWVHMEL-SNVBAGLBSA-N 1 2 350.278 2.677 10 0 FFAELO Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc2n(n1)CC[N@@H+](C(C)C)C2 ZINC000065528053 205358484 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Cc1ccc(N2CCC(NC(=O)c3ccc(-n4ccnc4)cc3)CC2)[nH+]c1 ZINC000172872390 509284914 /nfs/dbraw/zinc/28/49/14/509284914.db2.gz LHCGTJQGUWIQBT-UHFFFAOYSA-N 1 2 361.449 2.975 10 0 FFAELO Cc1cc(F)cc(S(=O)(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000267029179 509313610 /nfs/dbraw/zinc/31/36/10/509313610.db2.gz LAVBXBDLBIVKSI-UHFFFAOYSA-N 1 2 351.447 2.738 10 0 FFAELO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1n1cc[nH+]c1 ZINC000248447228 509325736 /nfs/dbraw/zinc/32/57/36/509325736.db2.gz WZNZEMGOVURGAO-DGCLKSJQSA-N 1 2 374.388 2.569 10 0 FFAELO CC(C)[C@H](C(=O)Nc1ccc(-c2ncn(C)n2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248505399 509345499 /nfs/dbraw/zinc/34/54/99/509345499.db2.gz WEROGMOKDDRUCF-IIDMSEBBSA-N 1 2 371.485 2.554 10 0 FFAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000173028783 509357129 /nfs/dbraw/zinc/35/71/29/509357129.db2.gz CUELLKRCQIQJFA-YLJYHZDGSA-N 1 2 368.481 2.765 10 0 FFAELO Cc1ccc(N2CCC[N@H+](Cc3nc(-c4ccccc4F)no3)CC2)nn1 ZINC000189006619 509366183 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CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](OC)c1cccc(Cl)c1 ZINC000248638251 509407691 /nfs/dbraw/zinc/40/76/91/509407691.db2.gz MDMUCRKVIXNCAX-DLBZAZTESA-N 1 2 354.878 2.645 10 0 FFAELO O[C@@H](COc1ccccc1)C[NH+]1CCN(CCCc2cccc(F)c2)CC1 ZINC000182758763 509414302 /nfs/dbraw/zinc/41/43/02/509414302.db2.gz YUKUMUNGHBLWDV-OAQYLSRUSA-N 1 2 372.484 2.816 10 0 FFAELO Cc1ccc(C)c([C@@H]2CN(c3nc4c(cnn4C)c(N)[nH+]3)[C@@H](C)CO2)c1 ZINC000248664559 509425643 /nfs/dbraw/zinc/42/56/43/509425643.db2.gz KCLVBDTUPXHYNE-BBRMVZONSA-N 1 2 352.442 2.529 10 0 FFAELO CO[C@H]1C[C@H](c2nc(C)no2)N(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000189141390 509431502 /nfs/dbraw/zinc/43/15/02/509431502.db2.gz WDVOKKOUJPEGGL-LSDHHAIUSA-N 1 2 352.398 2.505 10 0 FFAELO Cc1ncc(C[NH+]2CCN(CCOCC(F)(F)C(F)(F)F)CC2)s1 ZINC000189144412 509433747 /nfs/dbraw/zinc/43/37/47/509433747.db2.gz OQXJTWXVUAOPPI-UHFFFAOYSA-N 1 2 373.391 2.783 10 0 FFAELO Cc1ncc(CN2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)s1 ZINC000189144412 509433752 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c1nn(-c2ccccc2)cc1CN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179521883 509493485 /nfs/dbraw/zinc/49/34/85/509493485.db2.gz AXLMAIVOMHCQMP-UHFFFAOYSA-N 1 2 372.476 2.838 10 0 FFAELO c1nn(-c2ccccc2)cc1C[NH+]1CCN(Cc2cnn3ccccc23)CC1 ZINC000179521883 509493488 /nfs/dbraw/zinc/49/34/88/509493488.db2.gz AXLMAIVOMHCQMP-UHFFFAOYSA-N 1 2 372.476 2.838 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)CCC(=O)OC(C)(C)C)CC2)cs1 ZINC000192391968 509499628 /nfs/dbraw/zinc/49/96/28/509499628.db2.gz FIOQGDXTZUYIEW-UHFFFAOYSA-N 1 2 367.515 2.608 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)CCC(=O)OC(C)(C)C)CC2)cs1 ZINC000192391968 509499635 /nfs/dbraw/zinc/49/96/35/509499635.db2.gz FIOQGDXTZUYIEW-UHFFFAOYSA-N 1 2 367.515 2.608 10 0 FFAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176421551 509500409 /nfs/dbraw/zinc/50/04/09/509500409.db2.gz JRXJAQBJRBULBN-INIZCTEOSA-N 1 2 364.453 2.558 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164493437 509508313 /nfs/dbraw/zinc/50/83/13/509508313.db2.gz PGDAFFCPWBFVQZ-QZWWFDLISA-N 1 2 369.868 2.827 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164493437 509508321 /nfs/dbraw/zinc/50/83/21/509508321.db2.gz PGDAFFCPWBFVQZ-QZWWFDLISA-N 1 2 369.868 2.827 10 0 FFAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000189338336 509528652 /nfs/dbraw/zinc/52/86/52/509528652.db2.gz JCLQEENXOZVWQP-LLVKDONJSA-N 1 2 364.243 2.815 10 0 FFAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000189338336 509528657 /nfs/dbraw/zinc/52/86/57/509528657.db2.gz JCLQEENXOZVWQP-LLVKDONJSA-N 1 2 364.243 2.815 10 0 FFAELO C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@H]1[NH+]1CCOCC1 ZINC000176506729 509551814 /nfs/dbraw/zinc/55/18/14/509551814.db2.gz SGJGQFQOUXSSJH-DOTOQJQBSA-N 1 2 356.422 2.865 10 0 FFAELO COc1ccc(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000176527986 509564775 /nfs/dbraw/zinc/56/47/75/509564775.db2.gz NDXZSMPKSGRXPC-KRWDZBQOSA-N 1 2 360.479 2.902 10 0 FFAELO Cc1ccc(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c(O)c1 ZINC000176539082 509570959 /nfs/dbraw/zinc/57/09/59/509570959.db2.gz OPXQBOXCHITHDN-MRXNPFEDSA-N 1 2 360.479 2.908 10 0 FFAELO C[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173396877 509573648 /nfs/dbraw/zinc/57/36/48/509573648.db2.gz RPATYVIYDJZVBI-LRDDRELGSA-N 1 2 373.280 2.551 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(C)[nH]c3ccccc32)nc[nH+]1 ZINC000173420666 509587767 /nfs/dbraw/zinc/58/77/67/509587767.db2.gz HQXCFGGKZVPLAJ-CQSZACIVSA-N 1 2 364.453 2.707 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(C)[nH]c3ccccc32)[nH+]cn1 ZINC000173420666 509587773 /nfs/dbraw/zinc/58/77/73/509587773.db2.gz HQXCFGGKZVPLAJ-CQSZACIVSA-N 1 2 364.453 2.707 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)c2cccs2)nc[nH+]1 ZINC000173422385 509588857 /nfs/dbraw/zinc/58/88/57/509588857.db2.gz CPTGIOAQQULQCO-QWHCGFSZSA-N 1 2 360.487 2.609 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)c2cccs2)[nH+]cn1 ZINC000173422385 509588863 /nfs/dbraw/zinc/58/88/63/509588863.db2.gz CPTGIOAQQULQCO-QWHCGFSZSA-N 1 2 360.487 2.609 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)c2ccccc2F)nc[nH+]1 ZINC000173423170 509590609 /nfs/dbraw/zinc/59/06/09/509590609.db2.gz MALFLILQCJXXDG-KGLIPLIRSA-N 1 2 357.433 2.546 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)c2ccccc2F)[nH+]cn1 ZINC000173423170 509590614 /nfs/dbraw/zinc/59/06/14/509590614.db2.gz MALFLILQCJXXDG-KGLIPLIRSA-N 1 2 357.433 2.546 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)nc[nH+]1 ZINC000173428785 509593081 /nfs/dbraw/zinc/59/30/81/509593081.db2.gz KLHSODDFZRRBJB-BRWVUGGUSA-N 1 2 357.502 2.820 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)[nH+]cn1 ZINC000173428785 509593085 /nfs/dbraw/zinc/59/30/85/509593085.db2.gz KLHSODDFZRRBJB-BRWVUGGUSA-N 1 2 357.502 2.820 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(SC)ccc2C)nc[nH+]1 ZINC000173439983 509600203 /nfs/dbraw/zinc/60/02/03/509600203.db2.gz JYZSUBWVXHPVIU-CQSZACIVSA-N 1 2 371.510 2.947 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(SC)ccc2C)[nH+]cn1 ZINC000173439983 509600207 /nfs/dbraw/zinc/60/02/07/509600207.db2.gz JYZSUBWVXHPVIU-CQSZACIVSA-N 1 2 371.510 2.947 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(SC)ccc2C)nc[nH+]1 ZINC000173439972 509600697 /nfs/dbraw/zinc/60/06/97/509600697.db2.gz JYZSUBWVXHPVIU-AWEZNQCLSA-N 1 2 371.510 2.947 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(SC)ccc2C)[nH+]cn1 ZINC000173439972 509600704 /nfs/dbraw/zinc/60/07/04/509600704.db2.gz JYZSUBWVXHPVIU-AWEZNQCLSA-N 1 2 371.510 2.947 10 0 FFAELO COC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173450790 509607873 /nfs/dbraw/zinc/60/78/73/509607873.db2.gz CJIVAOMOMXKBOE-HOCLYGCPSA-N 1 2 356.426 2.528 10 0 FFAELO C[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCO2 ZINC000186314015 509641201 /nfs/dbraw/zinc/64/12/01/509641201.db2.gz AXUYCBRZWSQFIY-HNNXBMFYSA-N 1 2 368.437 2.793 10 0 FFAELO C[C@@H]1C[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)O1 ZINC000249308968 509654296 /nfs/dbraw/zinc/65/42/96/509654296.db2.gz NSJXYOJXGKBREX-JMSVASOKSA-N 1 2 353.260 2.664 10 0 FFAELO Cn1c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186330084 509652624 /nfs/dbraw/zinc/65/26/24/509652624.db2.gz MNOYCOVUOBJMTQ-OAHLLOKOSA-N 1 2 357.849 2.564 10 0 FFAELO Cn1c(C[N@H+]2CCC[C@@H](n3cncn3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186330084 509652630 /nfs/dbraw/zinc/65/26/30/509652630.db2.gz MNOYCOVUOBJMTQ-OAHLLOKOSA-N 1 2 357.849 2.564 10 0 FFAELO COc1cc(CCC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc(OC)c1 ZINC000186373426 509675500 /nfs/dbraw/zinc/67/55/00/509675500.db2.gz CDJRJLACUNBWMC-UHFFFAOYSA-N 1 2 369.465 2.770 10 0 FFAELO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173623299 509679967 /nfs/dbraw/zinc/67/99/67/509679967.db2.gz JASXACATMVBDSR-HZPDHXFCSA-N 1 2 355.486 2.621 10 0 FFAELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)c3nnnn3C3CCCCC3)C2)n1 ZINC000249484816 509690194 /nfs/dbraw/zinc/69/01/94/509690194.db2.gz UEMGYXWCKSUAAV-RHSMWYFYSA-N 1 2 372.521 2.860 10 0 FFAELO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H](C)c3nnnn3C3CCCCC3)C2)n1 ZINC000249484816 509690204 /nfs/dbraw/zinc/69/02/04/509690204.db2.gz UEMGYXWCKSUAAV-RHSMWYFYSA-N 1 2 372.521 2.860 10 0 FFAELO O=C(c1occc1Br)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186408206 509695225 /nfs/dbraw/zinc/69/52/25/509695225.db2.gz MWYSVJFMLRHYID-UHFFFAOYSA-N 1 2 350.216 2.790 10 0 FFAELO c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000176800978 509698507 /nfs/dbraw/zinc/69/85/07/509698507.db2.gz DIYCPTLLRPLEOK-ZDUSSCGKSA-N 1 2 355.423 2.755 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC000170651785 509701418 /nfs/dbraw/zinc/70/14/18/509701418.db2.gz JARIYGAGILCZCB-WOJBJXKFSA-N 1 2 373.541 2.923 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC000170651785 509701424 /nfs/dbraw/zinc/70/14/24/509701424.db2.gz JARIYGAGILCZCB-WOJBJXKFSA-N 1 2 373.541 2.923 10 0 FFAELO CCc1nnc([C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CCO2)[nH]1 ZINC000173688510 509722761 /nfs/dbraw/zinc/72/27/61/509722761.db2.gz FEDIJWQJIBUBJY-CQSZACIVSA-N 1 2 370.375 2.882 10 0 FFAELO CCc1nnc([C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CCO2)[nH]1 ZINC000173688510 509722767 /nfs/dbraw/zinc/72/27/67/509722767.db2.gz FEDIJWQJIBUBJY-CQSZACIVSA-N 1 2 370.375 2.882 10 0 FFAELO O=c1c2ccccc2ncn1CC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173709779 509731591 /nfs/dbraw/zinc/73/15/91/509731591.db2.gz OZUYHSFWWGDXQG-UHFFFAOYSA-N 1 2 365.437 2.716 10 0 FFAELO O=C(c1cccc(Br)n1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186509860 509745894 /nfs/dbraw/zinc/74/58/94/509745894.db2.gz TZIUGNPYBLOFDY-UHFFFAOYSA-N 1 2 361.243 2.592 10 0 FFAELO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249745869 509751716 /nfs/dbraw/zinc/75/17/16/509751716.db2.gz MKRONDRTGDAFKK-MOPGFXCFSA-N 1 2 373.497 2.751 10 0 FFAELO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249745869 509751720 /nfs/dbraw/zinc/75/17/20/509751720.db2.gz MKRONDRTGDAFKK-MOPGFXCFSA-N 1 2 373.497 2.751 10 0 FFAELO CC[C@@H](C)c1ccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2CC)cc1 ZINC000176906253 509756822 /nfs/dbraw/zinc/75/68/22/509756822.db2.gz ATKLCMUWAIQPAA-CQSZACIVSA-N 1 2 363.483 2.970 10 0 FFAELO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173781181 509773975 /nfs/dbraw/zinc/77/39/75/509773975.db2.gz LDMHLULFOOOSFW-SFHVURJKSA-N 1 2 358.486 2.534 10 0 FFAELO COc1cc(Cl)c(Cl)cc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000176952346 509781634 /nfs/dbraw/zinc/78/16/34/509781634.db2.gz MVOCXXNABXXMPO-ABAIWWIYSA-N 1 2 373.280 2.795 10 0 FFAELO C[C@@H]1CN(C(=O)c2csc(-c3ccccc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000173815726 509794720 /nfs/dbraw/zinc/79/47/20/509794720.db2.gz ADYGZXHPDQHENP-RHSMWYFYSA-N 1 2 357.479 2.603 10 0 FFAELO Cc1c(Br)cccc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173814788 509794912 /nfs/dbraw/zinc/79/49/12/509794912.db2.gz HBVFWZKPGDDYCM-BLLLJJGKSA-N 1 2 367.287 2.550 10 0 FFAELO C[C@@H]1CN(C(=O)c2occc2COc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173822469 509797438 /nfs/dbraw/zinc/79/74/38/509797438.db2.gz KWNVXQOADYCPDQ-APWZRJJASA-N 1 2 370.449 2.651 10 0 FFAELO C[C@H]1CN(C(=O)c2occc2COc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173822505 509797547 /nfs/dbraw/zinc/79/75/47/509797547.db2.gz KWNVXQOADYCPDQ-QFBILLFUSA-N 1 2 370.449 2.651 10 0 FFAELO C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173834950 509806580 /nfs/dbraw/zinc/80/65/80/509806580.db2.gz XQNLLQDBJHXBSQ-ACJLOTCBSA-N 1 2 374.872 2.523 10 0 FFAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000173839191 509809631 /nfs/dbraw/zinc/80/96/31/509809631.db2.gz GKVJEPWSZDURHL-RTBURBONSA-N 1 2 368.481 2.945 10 0 FFAELO CCOc1cccc(CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1OC(F)F ZINC000180226182 509822118 /nfs/dbraw/zinc/82/21/18/509822118.db2.gz OTVQGNWWGVUJRN-GDBMZVCRSA-N 1 2 370.440 2.839 10 0 FFAELO CC(C)Oc1ccc(Cl)cc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173865274 509824367 /nfs/dbraw/zinc/82/43/67/509824367.db2.gz KTMVFIDPJZDPLI-PBHICJAKSA-N 1 2 366.889 2.920 10 0 FFAELO O=C(Nc1cccc(CC(F)(F)F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173906496 509847045 /nfs/dbraw/zinc/84/70/45/509847045.db2.gz CCTJHUWPSYFMKE-OAHLLOKOSA-N 1 2 357.376 2.730 10 0 FFAELO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccccc1Br ZINC000252661346 509855812 /nfs/dbraw/zinc/85/58/12/509855812.db2.gz INVSDNGSOBFQHN-STQMWFEESA-N 1 2 373.316 2.696 10 0 FFAELO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccccc1Br ZINC000252661346 509855819 /nfs/dbraw/zinc/85/58/19/509855819.db2.gz INVSDNGSOBFQHN-STQMWFEESA-N 1 2 373.316 2.696 10 0 FFAELO Cc1ncc(C[NH+]2CCN(Cc3nnc(-c4ccccc4)o3)CC2)s1 ZINC000170941734 509860466 /nfs/dbraw/zinc/86/04/66/509860466.db2.gz DUURMJXRWSSHSE-UHFFFAOYSA-N 1 2 355.467 2.819 10 0 FFAELO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000170942236 509862301 /nfs/dbraw/zinc/86/23/01/509862301.db2.gz BTJSBSVSGMCJKX-UHFFFAOYSA-N 1 2 364.449 2.608 10 0 FFAELO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936932 509863843 /nfs/dbraw/zinc/86/38/43/509863843.db2.gz KQMIJYHTJILZKZ-ZIAGYGMSSA-N 1 2 358.442 2.963 10 0 FFAELO C[C@@H](NC(=O)CNC(=O)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938832 509865243 /nfs/dbraw/zinc/86/52/43/509865243.db2.gz LODDPGKXSNJEEY-CYBMUJFWSA-N 1 2 354.435 2.541 10 0 FFAELO CC[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)CCO1 ZINC000183671229 509918773 /nfs/dbraw/zinc/91/87/73/509918773.db2.gz NZHSGNSBMFPPLK-RDJZCZTQSA-N 1 2 351.516 2.691 10 0 FFAELO CC[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)CCO1 ZINC000183671229 509918776 /nfs/dbraw/zinc/91/87/76/509918776.db2.gz NZHSGNSBMFPPLK-RDJZCZTQSA-N 1 2 351.516 2.691 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000180425401 509920517 /nfs/dbraw/zinc/92/05/17/509920517.db2.gz DOLXFFLYZPXTRL-HUUCEWRRSA-N 1 2 366.889 2.728 10 0 FFAELO COCC[N@H+]1CCN(C(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000180425401 509920527 /nfs/dbraw/zinc/92/05/27/509920527.db2.gz DOLXFFLYZPXTRL-HUUCEWRRSA-N 1 2 366.889 2.728 10 0 FFAELO C[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000177223947 509944934 /nfs/dbraw/zinc/94/49/34/509944934.db2.gz LTWPGGPCTGMPKP-DOMZBBRYSA-N 1 2 372.296 2.584 10 0 FFAELO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1N1CCOCC1 ZINC000177223947 509944941 /nfs/dbraw/zinc/94/49/41/509944941.db2.gz LTWPGGPCTGMPKP-DOMZBBRYSA-N 1 2 372.296 2.584 10 0 FFAELO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1N1CCOCC1 ZINC000177223947 509944950 /nfs/dbraw/zinc/94/49/50/509944950.db2.gz LTWPGGPCTGMPKP-DOMZBBRYSA-N 1 2 372.296 2.584 10 0 FFAELO C[C@@H]1CN(Cc2nnc(-c3ccccc3Cl)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000177257283 509963189 /nfs/dbraw/zinc/96/31/89/509963189.db2.gz HSRRFWUHDGBWRT-CJNGLKHVSA-N 1 2 362.861 2.543 10 0 FFAELO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc(C)ccc3F)sc2C1 ZINC000171146881 509968205 /nfs/dbraw/zinc/96/82/05/509968205.db2.gz AQPJKGACYVBHBB-UHFFFAOYSA-N 1 2 355.460 2.769 10 0 FFAELO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc(C)ccc3F)sc2C1 ZINC000171146881 509968209 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CCCC[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1Cl ZINC000102656648 508280529 /nfs/dbraw/zinc/28/05/29/508280529.db2.gz HURZXLJSCCGQJK-UHFFFAOYSA-N 1 2 365.905 2.681 10 0 FFAELO CCCC[N@@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1Cl ZINC000102656648 508280531 /nfs/dbraw/zinc/28/05/31/508280531.db2.gz HURZXLJSCCGQJK-UHFFFAOYSA-N 1 2 365.905 2.681 10 0 FFAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000077367996 508306241 /nfs/dbraw/zinc/30/62/41/508306241.db2.gz DNHMTPDPXONFKF-HDICACEKSA-N 1 2 368.477 2.991 10 0 FFAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000077367996 508306243 /nfs/dbraw/zinc/30/62/43/508306243.db2.gz DNHMTPDPXONFKF-HDICACEKSA-N 1 2 368.477 2.991 10 0 FFAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000077369364 508306411 /nfs/dbraw/zinc/30/64/11/508306411.db2.gz INMZTQOHKSUBES-HDICACEKSA-N 1 2 368.477 2.991 10 0 FFAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000077369364 508306413 /nfs/dbraw/zinc/30/64/13/508306413.db2.gz INMZTQOHKSUBES-HDICACEKSA-N 1 2 368.477 2.991 10 0 FFAELO Cc1cccc(OCCCNC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483418 508321042 /nfs/dbraw/zinc/32/10/42/508321042.db2.gz MAGLHXDUAXMIOK-LJQANCHMSA-N 1 2 356.470 2.830 10 0 FFAELO Cc1cccc(OCCCNC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483418 508321046 /nfs/dbraw/zinc/32/10/46/508321046.db2.gz MAGLHXDUAXMIOK-LJQANCHMSA-N 1 2 356.470 2.830 10 0 FFAELO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484143 508321389 /nfs/dbraw/zinc/32/13/89/508321389.db2.gz CSHOJSZZNVHOLK-INIZCTEOSA-N 1 2 362.861 2.915 10 0 FFAELO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484143 508321390 /nfs/dbraw/zinc/32/13/90/508321390.db2.gz CSHOJSZZNVHOLK-INIZCTEOSA-N 1 2 362.861 2.915 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccccc2Oc2ccccc2)C1 ZINC000104792944 508346886 /nfs/dbraw/zinc/34/68/86/508346886.db2.gz KUWDYFOLKKIZAM-GOSISDBHSA-N 1 2 355.438 2.609 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccccc2Oc2ccccc2)C1 ZINC000104792944 508346887 /nfs/dbraw/zinc/34/68/87/508346887.db2.gz KUWDYFOLKKIZAM-GOSISDBHSA-N 1 2 355.438 2.609 10 0 FFAELO C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1c(Cl)cccc1Cl ZINC000104798207 508347818 /nfs/dbraw/zinc/34/78/18/508347818.db2.gz PVKFFMYVQUKXLL-RYUDHWBXSA-N 1 2 360.285 2.727 10 0 FFAELO C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1c(Cl)cccc1Cl ZINC000104798207 508347820 /nfs/dbraw/zinc/34/78/20/508347820.db2.gz PVKFFMYVQUKXLL-RYUDHWBXSA-N 1 2 360.285 2.727 10 0 FFAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114822243 508350900 /nfs/dbraw/zinc/35/09/00/508350900.db2.gz DJKVTBGCOIGABB-OAHLLOKOSA-N 1 2 368.466 2.813 10 0 FFAELO CC(C)Oc1ccc(F)cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105033548 508358106 /nfs/dbraw/zinc/35/81/06/508358106.db2.gz QTMCXDDIGBBKIR-ZIAGYGMSSA-N 1 2 353.438 2.844 10 0 FFAELO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1Oc1ccncc1 ZINC000115330625 508385410 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Cc1cnn(C[C@@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)CCO2)c1 ZINC000106194670 508397645 /nfs/dbraw/zinc/39/76/45/508397645.db2.gz AFILBMWXQNDOSM-HNNXBMFYSA-N 1 2 369.387 2.990 10 0 FFAELO c1cnn(C[C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000106189087 508397683 /nfs/dbraw/zinc/39/76/83/508397683.db2.gz AIWVKMSHHOVEOE-IBGZPJMESA-N 1 2 350.422 2.971 10 0 FFAELO c1cnn(C[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000106189087 508397685 /nfs/dbraw/zinc/39/76/85/508397685.db2.gz AIWVKMSHHOVEOE-IBGZPJMESA-N 1 2 350.422 2.971 10 0 FFAELO O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000152393414 508437731 /nfs/dbraw/zinc/43/77/31/508437731.db2.gz RSYWBGPSQRSZFP-IAGOWNOFSA-N 1 2 371.460 2.865 10 0 FFAELO CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000127494486 508458814 /nfs/dbraw/zinc/45/88/14/508458814.db2.gz CIXHQUBIMAMNQR-PKOBYXMFSA-N 1 2 357.498 2.816 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1ccc(O)cc1 ZINC000134118667 508495395 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CCOCC[N@H+]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000117276829 508587079 /nfs/dbraw/zinc/58/70/79/508587079.db2.gz QUIGCFLCZHTLQE-HNNXBMFYSA-N 1 2 366.889 2.872 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(-c3ccc(C)cc3)no2)C[C@@H]1C ZINC000117282204 508588297 /nfs/dbraw/zinc/58/82/97/508588297.db2.gz ILCICWRHQIFDET-INIZCTEOSA-N 1 2 357.454 2.833 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2cc(-c3ccc(C)cc3)no2)C[C@@H]1C ZINC000117282204 508588300 /nfs/dbraw/zinc/58/83/00/508588300.db2.gz ILCICWRHQIFDET-INIZCTEOSA-N 1 2 357.454 2.833 10 0 FFAELO C[C@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000122935212 508610435 /nfs/dbraw/zinc/61/04/35/508610435.db2.gz SGNKCUCKYWDTRX-SNVBAGLBSA-N 1 2 350.768 2.809 10 0 FFAELO CC(C)c1ccc(Cn2nccc2NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000157861112 508622993 /nfs/dbraw/zinc/62/29/93/508622993.db2.gz LLGFBNNDCOXFTP-GOSISDBHSA-N 1 2 371.485 2.507 10 0 FFAELO CC(C)c1ccc(Cn2nccc2NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000157861112 508622996 /nfs/dbraw/zinc/62/29/96/508622996.db2.gz LLGFBNNDCOXFTP-GOSISDBHSA-N 1 2 371.485 2.507 10 0 FFAELO C[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C)[NH+]1CCOCC1 ZINC000123045430 508626868 /nfs/dbraw/zinc/62/68/68/508626868.db2.gz ZWTWCZFMSOLPLL-INIZCTEOSA-N 1 2 370.497 2.620 10 0 FFAELO O=C(c1c2c(sc1-n1cccc1)CCC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000136087540 508669367 /nfs/dbraw/zinc/66/93/67/508669367.db2.gz RNOARRKZPKDKFU-HNNXBMFYSA-N 1 2 371.506 2.574 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCS2)[NH+]2CCOCC2)s1 ZINC000123733998 508731202 /nfs/dbraw/zinc/73/12/02/508731202.db2.gz BEFJGFOPRBMTPY-LSDHHAIUSA-N 1 2 369.556 2.625 10 0 FFAELO COc1ccc(OC)c(CCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000119432353 508795530 /nfs/dbraw/zinc/79/55/30/508795530.db2.gz SAIBXVGWWZESNM-INIZCTEOSA-N 1 2 371.481 2.851 10 0 FFAELO CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000131282705 508910521 /nfs/dbraw/zinc/91/05/21/508910521.db2.gz LFRYIIUAIVMQPG-CVEARBPZSA-N 1 2 351.516 2.871 10 0 FFAELO c1ccc(-c2nnc(C[N@@H+]3CCCN(c4cccnn4)CC3)s2)cc1 ZINC000155188775 508942946 /nfs/dbraw/zinc/94/29/46/508942946.db2.gz GHBIAJQQEWQOKF-UHFFFAOYSA-N 1 2 352.467 2.707 10 0 FFAELO c1ccc(-c2nnc(C[N@H+]3CCCN(c4cccnn4)CC3)s2)cc1 ZINC000155188775 508942949 /nfs/dbraw/zinc/94/29/49/508942949.db2.gz GHBIAJQQEWQOKF-UHFFFAOYSA-N 1 2 352.467 2.707 10 0 FFAELO COc1ccccc1N1CC[C@H](N2CCc3c([nH+]c(C(C)C)n3C)C2)C1=O ZINC000151139298 508965370 /nfs/dbraw/zinc/96/53/70/508965370.db2.gz UWWTVWYYMNICKL-SFHVURJKSA-N 1 2 368.481 2.716 10 0 FFAELO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCN(C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000132325323 509015626 /nfs/dbraw/zinc/01/56/26/509015626.db2.gz OCSDGTXPRWVVOY-JKSUJKDBSA-N 1 2 372.465 2.620 10 0 FFAELO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCN(C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000132325323 509015628 /nfs/dbraw/zinc/01/56/28/509015628.db2.gz OCSDGTXPRWVVOY-JKSUJKDBSA-N 1 2 372.465 2.620 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)/C=C/c3cncc(C)c3)CC2)cs1 ZINC000151553224 509042018 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/nfs/dbraw/zinc/35/38/86/510353886.db2.gz QXEXKTSVSIGPFI-JSGCOSHPSA-N 1 2 365.886 2.988 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000184523847 510370206 /nfs/dbraw/zinc/37/02/06/510370206.db2.gz ULWWKSWHYIHWKP-QGZVFWFLSA-N 1 2 352.425 2.614 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000184523847 510370212 /nfs/dbraw/zinc/37/02/12/510370212.db2.gz ULWWKSWHYIHWKP-QGZVFWFLSA-N 1 2 352.425 2.614 10 0 FFAELO C[C@H](CSCc1ccccc1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246308983 510419380 /nfs/dbraw/zinc/41/93/80/510419380.db2.gz AYXGIXWZFDZQLI-ZHALLVOQSA-N 1 2 362.539 2.735 10 0 FFAELO CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000178084092 510423268 /nfs/dbraw/zinc/42/32/68/510423268.db2.gz ZHRMAABSCVROMJ-INIZCTEOSA-N 1 2 350.422 2.674 10 0 FFAELO CN(CCOc1cccc(Cl)c1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000246324675 510427840 /nfs/dbraw/zinc/42/78/40/510427840.db2.gz IRGXGVIJLQVFAF-HNNXBMFYSA-N 1 2 362.861 2.606 10 0 FFAELO CN(CCOc1cccc(Cl)c1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246324675 510427842 /nfs/dbraw/zinc/42/78/42/510427842.db2.gz IRGXGVIJLQVFAF-HNNXBMFYSA-N 1 2 362.861 2.606 10 0 FFAELO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000175014098 510437313 /nfs/dbraw/zinc/43/73/13/510437313.db2.gz GOARBAQTBAKGRE-BPUTZDHNSA-N 1 2 351.516 2.870 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000194602883 510440608 /nfs/dbraw/zinc/44/06/08/510440608.db2.gz XFUNQFKTJMYIDR-CYBMUJFWSA-N 1 2 363.310 2.673 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000194602883 510440610 /nfs/dbraw/zinc/44/06/10/510440610.db2.gz XFUNQFKTJMYIDR-CYBMUJFWSA-N 1 2 363.310 2.673 10 0 FFAELO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1Cl ZINC000246356242 510444679 /nfs/dbraw/zinc/44/46/79/510444679.db2.gz JXROYTROFZUQAH-UONOGXRCSA-N 1 2 351.859 2.933 10 0 FFAELO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1Cl ZINC000246356242 510444689 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10 0 FFAELO CC(C)c1nnc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)n1C ZINC000175157053 510509766 /nfs/dbraw/zinc/50/97/66/510509766.db2.gz CKFRASAVZJTMAI-KRWDZBQOSA-N 1 2 355.486 2.723 10 0 FFAELO CC(C)c1nnc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)n1C ZINC000175157053 510509772 /nfs/dbraw/zinc/50/97/72/510509772.db2.gz CKFRASAVZJTMAI-KRWDZBQOSA-N 1 2 355.486 2.723 10 0 FFAELO C[C@@H](NC(=O)NCCC(=O)N1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175194357 510525724 /nfs/dbraw/zinc/52/57/24/510525724.db2.gz YWZWLDRAWAHTLZ-MRXNPFEDSA-N 1 2 369.469 2.635 10 0 FFAELO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000175196161 510525884 /nfs/dbraw/zinc/52/58/84/510525884.db2.gz UVDWCMJTNJUHPE-QGZVFWFLSA-N 1 2 370.497 2.715 10 0 FFAELO Cc1ccc(CCC(=O)NC[C@H](C)[NH+]2CCOCC2)c(Br)c1 ZINC000184853423 510547369 /nfs/dbraw/zinc/54/73/69/510547369.db2.gz OFKAQXLNQXFFDB-AWEZNQCLSA-N 1 2 369.303 2.527 10 0 FFAELO O=C(c1csc(Cl)c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000191244241 510566504 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FFAELO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246584987 510570443 /nfs/dbraw/zinc/57/04/43/510570443.db2.gz UQIYGVNQVRZFFU-AEFFLSMTSA-N 1 2 373.888 2.989 10 0 FFAELO CNC(=O)c1cccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000172151050 510570472 /nfs/dbraw/zinc/57/04/72/510570472.db2.gz XKIVRCYLOONVDP-UHFFFAOYSA-N 1 2 350.422 2.510 10 0 FFAELO C[C@@H](C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)c1cccnc1 ZINC000246623275 510590118 /nfs/dbraw/zinc/59/01/18/510590118.db2.gz APPCSQZPGZTIII-INMHGKMJSA-N 1 2 359.495 2.825 10 0 FFAELO C[C@@H](C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)c1cccnc1 ZINC000246623275 510590120 /nfs/dbraw/zinc/59/01/20/510590120.db2.gz APPCSQZPGZTIII-INMHGKMJSA-N 1 2 359.495 2.825 10 0 FFAELO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 ZINC000263205611 510610682 /nfs/dbraw/zinc/61/06/82/510610682.db2.gz JQGLUVIDJZOSBE-PXAZEXFGSA-N 1 2 362.393 2.520 10 0 FFAELO COC(=O)c1oc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1C ZINC000246776439 510666971 /nfs/dbraw/zinc/66/69/71/510666971.db2.gz RNAIDPMDLSSNLK-WBMJQRKESA-N 1 2 351.349 2.961 10 0 FFAELO COC(=O)c1oc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1C ZINC000246776439 510666981 /nfs/dbraw/zinc/66/69/81/510666981.db2.gz RNAIDPMDLSSNLK-WBMJQRKESA-N 1 2 351.349 2.961 10 0 FFAELO CCCCOCCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000178611811 510687445 /nfs/dbraw/zinc/68/74/45/510687445.db2.gz FYNSVFXHIAJBFN-CVEARBPZSA-N 1 2 369.531 2.626 10 0 FFAELO CCCCOCCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000178611811 510687450 /nfs/dbraw/zinc/68/74/50/510687450.db2.gz FYNSVFXHIAJBFN-CVEARBPZSA-N 1 2 369.531 2.626 10 0 FFAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000246825292 510695059 /nfs/dbraw/zinc/69/50/59/510695059.db2.gz BMRXXODGEZSWOM-NUJGCVRESA-N 1 2 374.481 2.621 10 0 FFAELO O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246873160 510721219 /nfs/dbraw/zinc/72/12/19/510721219.db2.gz GEHVWKRTGJGQDP-PWRODBHTSA-N 1 2 371.525 2.904 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](SC)c2ccccc2)nc[nH+]1 ZINC000246914281 510743336 /nfs/dbraw/zinc/74/33/36/510743336.db2.gz LCZULRRQRFUHHU-YJBOKZPZSA-N 1 2 371.510 2.708 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](SC)c2ccccc2)[nH+]cn1 ZINC000246914281 510743343 /nfs/dbraw/zinc/74/33/43/510743343.db2.gz LCZULRRQRFUHHU-YJBOKZPZSA-N 1 2 371.510 2.708 10 0 FFAELO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000246942933 510759101 /nfs/dbraw/zinc/75/91/01/510759101.db2.gz KCOLVYFXKVMIBF-XHSDSOJGSA-N 1 2 355.486 2.573 10 0 FFAELO CCn1cc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3cccs3)CCO2)cn1 ZINC000191710916 510796560 /nfs/dbraw/zinc/79/65/60/510796560.db2.gz FXRFXBZROQLRMC-INIZCTEOSA-N 1 2 357.483 2.939 10 0 FFAELO CCn1cc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3cccs3)CCO2)cn1 ZINC000191710916 510796565 /nfs/dbraw/zinc/79/65/65/510796565.db2.gz FXRFXBZROQLRMC-INIZCTEOSA-N 1 2 357.483 2.939 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2sc(CC3CC3)nc2C)C[C@@H]1C ZINC000191738028 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UZPDVAFABRJNRC-OAHLLOKOSA-N 1 2 356.413 2.593 10 0 FFAELO C[C@@H](CS(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000151889228 509105657 /nfs/dbraw/zinc/10/56/57/509105657.db2.gz FCLKPPJLBXJUMT-DLBZAZTESA-N 1 2 361.511 2.808 10 0 FFAELO Cc1noc(-c2ccccc2)c1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000126723327 509118979 /nfs/dbraw/zinc/11/89/79/509118979.db2.gz WYQIZLYZPKWJMS-WMLDXEAASA-N 1 2 370.453 2.834 10 0 FFAELO Cc1noc(-c2ccccc2)c1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000126723545 509119028 /nfs/dbraw/zinc/11/90/28/509119028.db2.gz WYQIZLYZPKWJMS-RHSMWYFYSA-N 1 2 370.453 2.834 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151987031 509124838 /nfs/dbraw/zinc/12/48/38/509124838.db2.gz HIDWGUYEBPHPBU-RDBSUJKOSA-N 1 2 352.837 2.562 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151987031 509124840 /nfs/dbraw/zinc/12/48/40/509124840.db2.gz HIDWGUYEBPHPBU-RDBSUJKOSA-N 1 2 352.837 2.562 10 0 FFAELO COc1c(C)cc(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1C ZINC000121441777 509174209 /nfs/dbraw/zinc/17/42/09/509174209.db2.gz JZAUPFUDUYSCIH-UHFFFAOYSA-N 1 2 356.514 2.980 10 0 FFAELO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1nnc2n1CCCC2 ZINC000162183355 509175330 /nfs/dbraw/zinc/17/53/30/509175330.db2.gz VRDTXFAUBWZFBO-UKRRQHHQSA-N 1 2 357.433 2.600 10 0 FFAELO CCOc1cc(C)nc(N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)n1 ZINC000121530611 509177688 /nfs/dbraw/zinc/17/76/88/509177688.db2.gz ADDBLHWTXMDTCK-UHFFFAOYSA-N 1 2 372.469 2.523 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)COc2cccc(C=O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247879056 509184875 /nfs/dbraw/zinc/18/48/75/509184875.db2.gz ZJYZSELQZFNIMN-AZUAARDMSA-N 1 2 374.387 2.718 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)COc2cccc(C=O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247879056 509184879 /nfs/dbraw/zinc/18/48/79/509184879.db2.gz ZJYZSELQZFNIMN-AZUAARDMSA-N 1 2 374.387 2.718 10 0 FFAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502389 509195975 /nfs/dbraw/zinc/19/59/75/509195975.db2.gz BDPQTXOQDAJPCQ-CQSZACIVSA-N 1 2 354.454 2.829 10 0 FFAELO O=C(CSCc1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172751565 509212206 /nfs/dbraw/zinc/21/22/06/509212206.db2.gz SUNKGEZCZNDLAJ-INIZCTEOSA-N 1 2 354.903 2.506 10 0 FFAELO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172753336 509212529 /nfs/dbraw/zinc/21/25/29/509212529.db2.gz DHJBVRGAYNJFBB-CHWSQXEVSA-N 1 2 373.280 2.694 10 0 FFAELO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000179123661 509273549 /nfs/dbraw/zinc/27/35/49/509273549.db2.gz LTFSISNTAOWZHK-MRXNPFEDSA-N 1 2 371.868 2.949 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c2cccs2)CCO1 ZINC000248368027 509277841 /nfs/dbraw/zinc/27/78/41/509277841.db2.gz USSYFFNMGDLXCR-LVQVYYBASA-N 1 2 363.527 2.807 10 0 FFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c2cccs2)CCO1 ZINC000248368027 509277846 /nfs/dbraw/zinc/27/78/46/509277846.db2.gz USSYFFNMGDLXCR-LVQVYYBASA-N 1 2 363.527 2.807 10 0 FFAELO CC[C@@H]1C[C@@H](C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CCO1 ZINC000248550288 509358063 /nfs/dbraw/zinc/35/80/63/509358063.db2.gz KIMCGHCQSFQSBA-GVDBMIGSSA-N 1 2 366.527 2.785 10 0 FFAELO CC(C)Cn1ncnc1CN(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000182755115 509412485 /nfs/dbraw/zinc/41/24/85/509412485.db2.gz MNBJLPSODLHSPZ-INIZCTEOSA-N 1 2 363.531 2.501 10 0 FFAELO CC(C)Cn1ncnc1C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000182755115 509412493 /nfs/dbraw/zinc/41/24/93/509412493.db2.gz MNBJLPSODLHSPZ-INIZCTEOSA-N 1 2 363.531 2.501 10 0 FFAELO CC(C)Cn1ncnc1C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000182755115 509412498 /nfs/dbraw/zinc/41/24/98/509412498.db2.gz MNBJLPSODLHSPZ-INIZCTEOSA-N 1 2 363.531 2.501 10 0 FFAELO Cc1ccc(CS(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000248667619 509427623 /nfs/dbraw/zinc/42/76/23/509427623.db2.gz PTQITLVFDNJQCA-PBHICJAKSA-N 1 2 351.447 2.744 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1cccc(Cl)c1)C2 ZINC000182801792 509432507 /nfs/dbraw/zinc/43/25/07/509432507.db2.gz PNUUPYKYSNZUFQ-UHFFFAOYSA-N 1 2 360.845 2.720 10 0 FFAELO Cc1ccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(C)c1 ZINC000182801388 509432896 /nfs/dbraw/zinc/43/28/96/509432896.db2.gz KTEQQHZXQXNJCB-UHFFFAOYSA-N 1 2 354.454 2.684 10 0 FFAELO CCn1cnnc1C1CC[NH+]([C@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000189226511 509472372 /nfs/dbraw/zinc/47/23/72/509472372.db2.gz GZLRLLDUJOOHDI-CQSZACIVSA-N 1 2 358.494 2.730 10 0 FFAELO Cc1cccc2[nH]c(CCC(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)nc21 ZINC000176433820 509507372 /nfs/dbraw/zinc/50/73/72/509507372.db2.gz PLLKJUFAYXQPLY-KRWDZBQOSA-N 1 2 370.497 2.517 10 0 FFAELO Cc1cccc2nc(CCC(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)[nH]c21 ZINC000176433820 509507374 /nfs/dbraw/zinc/50/73/74/509507374.db2.gz PLLKJUFAYXQPLY-KRWDZBQOSA-N 1 2 370.497 2.517 10 0 FFAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000189314435 509515087 /nfs/dbraw/zinc/51/50/87/509515087.db2.gz YTZBJEDUEANEAY-CEXWTWQISA-N 1 2 373.453 2.898 10 0 FFAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000189314435 509515093 /nfs/dbraw/zinc/51/50/93/509515093.db2.gz YTZBJEDUEANEAY-CEXWTWQISA-N 1 2 373.453 2.898 10 0 FFAELO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1C ZINC000173317386 509529056 /nfs/dbraw/zinc/52/90/56/509529056.db2.gz KOZZNZZKZGSBTH-OAHLLOKOSA-N 1 2 358.442 2.562 10 0 FFAELO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1C ZINC000173317386 509529062 /nfs/dbraw/zinc/52/90/62/509529062.db2.gz KOZZNZZKZGSBTH-OAHLLOKOSA-N 1 2 358.442 2.562 10 0 FFAELO COCCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cn1 ZINC000248888814 509530413 /nfs/dbraw/zinc/53/04/13/509530413.db2.gz RODGEFKEVAQINL-HXUWFJFHSA-N 1 2 371.481 2.746 10 0 FFAELO COCCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cn1 ZINC000248888814 509530421 /nfs/dbraw/zinc/53/04/21/509530421.db2.gz RODGEFKEVAQINL-HXUWFJFHSA-N 1 2 371.481 2.746 10 0 FFAELO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000173319410 509530698 /nfs/dbraw/zinc/53/06/98/509530698.db2.gz KUCVWDPZTBVENV-SUMWQHHRSA-N 1 2 358.442 2.601 10 0 FFAELO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000173319410 509530706 /nfs/dbraw/zinc/53/07/06/509530706.db2.gz KUCVWDPZTBVENV-SUMWQHHRSA-N 1 2 358.442 2.601 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC[C@@H]1CCCCO1 ZINC000176519998 509558385 /nfs/dbraw/zinc/55/83/85/509558385.db2.gz HJACUKBIVVIDRQ-IRXDYDNUSA-N 1 2 366.527 2.929 10 0 FFAELO Cc1ccc(CC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cn1 ZINC000176519338 509558400 /nfs/dbraw/zinc/55/84/00/509558400.db2.gz BBWAWLPFXQPOKE-QGZVFWFLSA-N 1 2 359.495 2.526 10 0 FFAELO Cc1ccc(O)c(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000176527836 509564283 /nfs/dbraw/zinc/56/42/83/509564283.db2.gz HJZVDDNBGPCRJP-MRXNPFEDSA-N 1 2 360.479 2.908 10 0 FFAELO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248989262 509566347 /nfs/dbraw/zinc/56/63/47/509566347.db2.gz XVRKJSZOXCAAPH-JTQLQIEISA-N 1 2 367.273 2.991 10 0 FFAELO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248989262 509566355 /nfs/dbraw/zinc/56/63/55/509566355.db2.gz XVRKJSZOXCAAPH-JTQLQIEISA-N 1 2 367.273 2.991 10 0 FFAELO C[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173396902 509572901 /nfs/dbraw/zinc/57/29/01/509572901.db2.gz RPATYVIYDJZVBI-BLLLJJGKSA-N 1 2 373.280 2.551 10 0 FFAELO Cc1nc(-c2cccc(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c2)cs1 ZINC000173404140 509576894 /nfs/dbraw/zinc/57/68/94/509576894.db2.gz UJUSFFRCYXSREJ-LIRRHRJNSA-N 1 2 371.506 2.911 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(SC)cc2)nc[nH+]1 ZINC000173408778 509581623 /nfs/dbraw/zinc/58/16/23/509581623.db2.gz JXHUMAHOCCSFSK-AWEZNQCLSA-N 1 2 357.483 2.639 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(SC)cc2)[nH+]cn1 ZINC000173408778 509581629 /nfs/dbraw/zinc/58/16/29/509581629.db2.gz JXHUMAHOCCSFSK-AWEZNQCLSA-N 1 2 357.483 2.639 10 0 FFAELO Cc1ccc([C@H](CNC(=O)c2cc(Cl)c[nH]2)[NH+]2CCOCC2)s1 ZINC000176557928 509583684 /nfs/dbraw/zinc/58/36/84/509583684.db2.gz ZTHFDAANJLOUPV-AWEZNQCLSA-N 1 2 353.875 2.841 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)c2cccs2)nc[nH+]1 ZINC000173422370 509588022 /nfs/dbraw/zinc/58/80/22/509588022.db2.gz CPTGIOAQQULQCO-OLZOCXBDSA-N 1 2 360.487 2.609 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)c2cccs2)[nH+]cn1 ZINC000173422370 509588028 /nfs/dbraw/zinc/58/80/28/509588028.db2.gz CPTGIOAQQULQCO-OLZOCXBDSA-N 1 2 360.487 2.609 10 0 FFAELO C[C@@H]1C[N@H+](CCN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)CCO1 ZINC000249062045 509588181 /nfs/dbraw/zinc/58/81/81/509588181.db2.gz PSLIFRJDBBLVMJ-XYPHTWIQSA-N 1 2 358.404 2.534 10 0 FFAELO C[C@@H]1C[N@@H+](CCN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)CCO1 ZINC000249062045 509588187 /nfs/dbraw/zinc/58/81/87/509588187.db2.gz PSLIFRJDBBLVMJ-XYPHTWIQSA-N 1 2 358.404 2.534 10 0 FFAELO Cc1ccc([C@H](CNC(=O)CCC2CCOCC2)[NH+]2CCOCC2)s1 ZINC000176572239 509589636 /nfs/dbraw/zinc/58/96/36/509589636.db2.gz QCBDCJKCBIXBSH-KRWDZBQOSA-N 1 2 366.527 2.753 10 0 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369.487 2.911 10 0 FFAELO C[C@@H](NC(=O)N[C@H](CCO)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187339022 510204650 /nfs/dbraw/zinc/20/46/50/510204650.db2.gz XIKJNEXRCAGLNR-RHSMWYFYSA-N 1 2 354.410 2.949 10 0 FFAELO c1ncn([C@@H]2CCC[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)n1 ZINC000171525331 510207505 /nfs/dbraw/zinc/20/75/05/510207505.db2.gz WYXPRFFZFKSWJT-OAHLLOKOSA-N 1 2 369.450 2.967 10 0 FFAELO c1ncn([C@@H]2CCC[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)n1 ZINC000171525331 510207514 /nfs/dbraw/zinc/20/75/14/510207514.db2.gz WYXPRFFZFKSWJT-OAHLLOKOSA-N 1 2 369.450 2.967 10 0 FFAELO O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184235309 510210364 /nfs/dbraw/zinc/21/03/64/510210364.db2.gz QTGCTWZNDNVMFI-UHFFFAOYSA-N 1 2 365.412 2.963 10 0 FFAELO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000190584961 510222299 /nfs/dbraw/zinc/22/22/99/510222299.db2.gz MZIRTAHRNYNTOP-UHFFFAOYSA-N 1 2 364.534 2.876 10 0 FFAELO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000190584961 510222305 /nfs/dbraw/zinc/22/23/05/510222305.db2.gz MZIRTAHRNYNTOP-UHFFFAOYSA-N 1 2 364.534 2.876 10 0 FFAELO CC(=O)c1ccc(OCCCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177734839 510225333 /nfs/dbraw/zinc/22/53/33/510225333.db2.gz MSDJLOKJYFFWMT-GOSISDBHSA-N 1 2 355.438 2.936 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000184278174 510235887 /nfs/dbraw/zinc/23/58/87/510235887.db2.gz BEAVQAVPMUAWTM-ZDUSSCGKSA-N 1 2 361.305 2.628 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000184278174 510235879 /nfs/dbraw/zinc/23/58/79/510235879.db2.gz BEAVQAVPMUAWTM-ZDUSSCGKSA-N 1 2 361.305 2.628 10 0 FFAELO C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184279015 510237891 /nfs/dbraw/zinc/23/78/91/510237891.db2.gz BMSGCGYTAQQLGR-INIZCTEOSA-N 1 2 354.454 2.640 10 0 FFAELO CC[N@@H+]1CC[C@H](NC(=O)N(CCO)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245985213 510237995 /nfs/dbraw/zinc/23/79/95/510237995.db2.gz HHEUOCSQFKQLLY-DLBZAZTESA-N 1 2 369.868 2.781 10 0 FFAELO CC[N@H+]1CC[C@H](NC(=O)N(CCO)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245985213 510238002 /nfs/dbraw/zinc/23/80/02/510238002.db2.gz HHEUOCSQFKQLLY-DLBZAZTESA-N 1 2 369.868 2.781 10 0 FFAELO O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000177769782 510243747 /nfs/dbraw/zinc/24/37/47/510243747.db2.gz RMIPCGCFCDIZDH-HZPDHXFCSA-N 1 2 358.404 2.615 10 0 FFAELO O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000177769782 510243758 /nfs/dbraw/zinc/24/37/58/510243758.db2.gz RMIPCGCFCDIZDH-HZPDHXFCSA-N 1 2 358.404 2.615 10 0 FFAELO C[C@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000190656300 510266212 /nfs/dbraw/zinc/26/62/12/510266212.db2.gz CFLRLXPAIKCMTA-QAPCUYQASA-N 1 2 366.889 2.678 10 0 FFAELO COc1ccc(Br)c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177814104 510267462 /nfs/dbraw/zinc/26/74/62/510267462.db2.gz JMFOVUCLXNHTFW-LBPRGKRZSA-N 1 2 364.243 2.959 10 0 FFAELO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000246103377 510295679 /nfs/dbraw/zinc/29/56/79/510295679.db2.gz IHYDGBWZQHNNNA-OLZOCXBDSA-N 1 2 363.412 2.783 10 0 FFAELO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000246103377 510295683 /nfs/dbraw/zinc/29/56/83/510295683.db2.gz IHYDGBWZQHNNNA-OLZOCXBDSA-N 1 2 363.412 2.783 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C[C@H](O)c3cccc(Cl)c3)CC2)s1 ZINC000174781397 510308193 /nfs/dbraw/zinc/30/81/93/510308193.db2.gz FJSCDTIQYSMCJI-KRWDZBQOSA-N 1 2 351.903 2.956 10 0 FFAELO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1cc(Cl)ccc1Cl ZINC000171704425 510319736 /nfs/dbraw/zinc/31/97/36/510319736.db2.gz QWEYHHREUSSLCR-LBPRGKRZSA-N 1 2 354.241 2.861 10 0 FFAELO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)Nc1cc(Cl)ccc1Cl ZINC000171704425 510319742 /nfs/dbraw/zinc/31/97/42/510319742.db2.gz QWEYHHREUSSLCR-LBPRGKRZSA-N 1 2 354.241 2.861 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)[C@H]2CC2(Cl)Cl)[NH+]2CCOCC2)s1 ZINC000177973982 510354987 /nfs/dbraw/zinc/35/49/87/510354987.db2.gz GUSUYWBNGMAZJZ-VXGBXAGGSA-N 1 2 363.310 2.740 10 0 FFAELO Cc1ccc2oc(N3CCN(C(=O)c4ccc5[nH+]ccn5c4)CC3)nc2c1 ZINC000171787794 510368795 /nfs/dbraw/zinc/36/87/95/510368795.db2.gz MDASRCURKWLZPL-UHFFFAOYSA-N 1 2 361.405 2.746 10 0 FFAELO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2nc(CS(C)(=O)=O)no2)cc1 ZINC000181407809 510393601 /nfs/dbraw/zinc/39/36/01/510393601.db2.gz GOXIOYJBTUCWJW-CYBMUJFWSA-N 1 2 351.472 2.664 10 0 FFAELO Cc1nc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)sc1Cc1ccc(C)cc1 ZINC000194497856 510395174 /nfs/dbraw/zinc/39/51/74/510395174.db2.gz HKDIRUTXLYDCJK-INIZCTEOSA-N 1 2 374.510 2.803 10 0 FFAELO Cc1nc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)sc1Cc1ccc(C)cc1 ZINC000194497856 510395180 /nfs/dbraw/zinc/39/51/80/510395180.db2.gz HKDIRUTXLYDCJK-INIZCTEOSA-N 1 2 374.510 2.803 10 0 FFAELO C[C@H](CSCc1ccccc1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246308929 510417837 /nfs/dbraw/zinc/41/78/37/510417837.db2.gz AYXGIXWZFDZQLI-LMMKCTJWSA-N 1 2 362.539 2.735 10 0 FFAELO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000246306836 510418669 /nfs/dbraw/zinc/41/86/69/510418669.db2.gz CFLLVSHSHQPOOU-CVEARBPZSA-N 1 2 372.444 2.724 10 0 FFAELO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000246306836 510418673 /nfs/dbraw/zinc/41/86/73/510418673.db2.gz CFLLVSHSHQPOOU-CVEARBPZSA-N 1 2 372.444 2.724 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)NCc3ccc([C@@H](C)O)cc3)CC2)s1 ZINC000171905863 510444572 /nfs/dbraw/zinc/44/45/72/510444572.db2.gz LUWFRXUDAWVNGM-CQSZACIVSA-N 1 2 374.510 2.532 10 0 FFAELO CN(C)c1[nH+]cccc1CNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000190985688 510451315 /nfs/dbraw/zinc/45/13/15/510451315.db2.gz MDUAXKHRDQFSEA-UHFFFAOYSA-N 1 2 366.465 2.926 10 0 FFAELO CCC[C@](C)([NH2+]C[C@H](O)COc1cccc(Br)c1)C(=O)OC ZINC000171944166 510464114 /nfs/dbraw/zinc/46/41/14/510464114.db2.gz WVTVMNTZTORHQR-BBRMVZONSA-N 1 2 374.275 2.510 10 0 FFAELO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000246418134 510480399 /nfs/dbraw/zinc/48/03/99/510480399.db2.gz MJSDEKZUAFKTAU-KBAYOESNSA-N 1 2 358.486 2.781 10 0 FFAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000175152916 510506074 /nfs/dbraw/zinc/50/60/74/510506074.db2.gz QNVWJWZXTLAFPW-LSDHHAIUSA-N 1 2 372.469 2.686 10 0 FFAELO CC(C)[C@@H](Nc1[nH+]cnc2c1cnn2C)c1nc(-c2cccnc2)no1 ZINC000178284666 510528059 /nfs/dbraw/zinc/52/80/59/510528059.db2.gz VNKGOCYRQRQDAB-CYBMUJFWSA-N 1 2 350.386 2.618 10 0 FFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NC[C@H]2CCCS2)c2cccs2)CCO1 ZINC000246519422 510532485 /nfs/dbraw/zinc/53/24/85/510532485.db2.gz UEKNYKRYPMWAIE-KFWWJZLASA-N 1 2 369.556 2.705 10 0 FFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NC[C@H]2CCCS2)c2cccs2)CCO1 ZINC000246519422 510532491 /nfs/dbraw/zinc/53/24/91/510532491.db2.gz UEKNYKRYPMWAIE-KFWWJZLASA-N 1 2 369.556 2.705 10 0 FFAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3nc4ccccc4nc3C)CC2)n1 ZINC000172162582 510577553 /nfs/dbraw/zinc/57/75/53/510577553.db2.gz ZJMHUXXKVZLOOX-OAHLLOKOSA-N 1 2 366.469 2.762 10 0 FFAELO C[N@@H+]1CC[C@@H](NC(=O)c2ncncc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000246605938 510580457 /nfs/dbraw/zinc/58/04/57/510580457.db2.gz HDFKXDSBHQSKED-UKRRQHHQSA-N 1 2 352.772 2.583 10 0 FFAELO C[N@H+]1CC[C@@H](NC(=O)c2ncncc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000246605938 510580461 /nfs/dbraw/zinc/58/04/61/510580461.db2.gz HDFKXDSBHQSKED-UKRRQHHQSA-N 1 2 352.772 2.583 10 0 FFAELO Cc1nc(N2CCN(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc[nH+]1 ZINC000184918934 510583517 /nfs/dbraw/zinc/58/35/17/510583517.db2.gz PBYCTIUJYPNENW-UONOGXRCSA-N 1 2 371.407 2.738 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2sc(C)nc2-c2ccccc2)C[C@H]1C ZINC000172225049 510607242 /nfs/dbraw/zinc/60/72/42/510607242.db2.gz PTSTXGXJNBWFPT-CQSZACIVSA-N 1 2 359.495 2.911 10 0 FFAELO COCC[N@H+]1CCN(C(=O)c2sc(C)nc2-c2ccccc2)C[C@H]1C ZINC000172225049 510607244 /nfs/dbraw/zinc/60/72/44/510607244.db2.gz PTSTXGXJNBWFPT-CQSZACIVSA-N 1 2 359.495 2.911 10 0 FFAELO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2cccnc2)[NH+]2CCOCC2)s1 ZINC000178460874 510615369 /nfs/dbraw/zinc/61/53/69/510615369.db2.gz WDUMVHKKRXZBJF-WBVHZDCISA-N 1 2 374.510 2.885 10 0 FFAELO Cc1ccc([C@H](CNC(=O)NC(C2CC2)C2CC2)[NH+]2CCOCC2)s1 ZINC000178496718 510631185 /nfs/dbraw/zinc/63/11/85/510631185.db2.gz BOZWRQYQLCMQLI-INIZCTEOSA-N 1 2 363.527 2.918 10 0 FFAELO COc1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c(OC2CCCC2)c1 ZINC000263276882 510640663 /nfs/dbraw/zinc/64/06/63/510640663.db2.gz SZGIUBIITMJZRL-HNNXBMFYSA-N 1 2 354.397 2.630 10 0 FFAELO O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263285335 510644475 /nfs/dbraw/zinc/64/44/75/510644475.db2.gz UXCLOEWDNKTUSS-OAHLLOKOSA-N 1 2 351.328 2.626 10 0 FFAELO CCOCCCCNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000178575351 510671239 /nfs/dbraw/zinc/67/12/39/510671239.db2.gz WCDJJJGPYVUXLT-INIZCTEOSA-N 1 2 369.531 2.546 10 0 FFAELO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000195143040 510686067 /nfs/dbraw/zinc/68/60/67/510686067.db2.gz NIJUVNRRMRVUMB-HNNXBMFYSA-N 1 2 362.474 2.694 10 0 FFAELO Cc1nnc([C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)[nH]1 ZINC000181991342 510696310 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O=C(c1cccs1)N1CCC[N@@H+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000112351634 508177661 /nfs/dbraw/zinc/17/76/61/508177661.db2.gz XSPWFCTVZPNVPX-MRXNPFEDSA-N 1 2 366.433 2.908 10 0 FFAELO O=C(c1cccs1)N1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000112351634 508177663 /nfs/dbraw/zinc/17/76/63/508177663.db2.gz XSPWFCTVZPNVPX-MRXNPFEDSA-N 1 2 366.433 2.908 10 0 FFAELO COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc4[nH+]ccn4c3)C2)c1 ZINC000081641704 508200920 /nfs/dbraw/zinc/20/09/20/508200920.db2.gz UDHPZDSGPHSRPX-CQSZACIVSA-N 1 2 351.406 2.981 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(Br)c[nH]1)C2 ZINC000112665341 508206872 /nfs/dbraw/zinc/20/68/72/508206872.db2.gz HKQJYRMXPKZNPA-UHFFFAOYSA-N 1 2 351.248 2.833 10 0 FFAELO C[C@@H](NC(=O)NCCCOC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471105 508210311 /nfs/dbraw/zinc/21/03/11/508210311.db2.gz VVHZJIYKONBOQQ-MRXNPFEDSA-N 1 2 372.469 2.818 10 0 FFAELO CC(=O)Nc1cccc(CNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000112742217 508218618 /nfs/dbraw/zinc/21/86/18/508218618.db2.gz AUVVFBZCLKIDLQ-UHFFFAOYSA-N 1 2 369.469 2.770 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000101565292 508247023 /nfs/dbraw/zinc/24/70/23/508247023.db2.gz BXNINSVFKANWFB-OAHLLOKOSA-N 1 2 351.878 2.968 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000101565292 508247025 /nfs/dbraw/zinc/24/70/25/508247025.db2.gz BXNINSVFKANWFB-OAHLLOKOSA-N 1 2 351.878 2.968 10 0 FFAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000102844274 508287504 /nfs/dbraw/zinc/28/75/04/508287504.db2.gz CSZPDTMZNCZJHJ-AWEZNQCLSA-N 1 2 374.510 2.924 10 0 FFAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000102844274 508287506 /nfs/dbraw/zinc/28/75/06/508287506.db2.gz CSZPDTMZNCZJHJ-AWEZNQCLSA-N 1 2 374.510 2.924 10 0 FFAELO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114201571 508298778 /nfs/dbraw/zinc/29/87/78/508298778.db2.gz ONYAJGXXQMRKJS-RDTXWAMCSA-N 1 2 372.469 2.831 10 0 FFAELO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114201571 508298780 /nfs/dbraw/zinc/29/87/80/508298780.db2.gz ONYAJGXXQMRKJS-RDTXWAMCSA-N 1 2 372.469 2.831 10 0 FFAELO CC(C)N(C)S(=O)(=O)N1CCC[C@H](c2[nH]cc(-c3ccccc3)[nH+]2)C1 ZINC000114211036 508299650 /nfs/dbraw/zinc/29/96/50/508299650.db2.gz DTDFFQSCNXXMQF-INIZCTEOSA-N 1 2 362.499 2.841 10 0 FFAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000077369366 508306432 /nfs/dbraw/zinc/30/64/32/508306432.db2.gz INMZTQOHKSUBES-ROUUACIJSA-N 1 2 368.477 2.991 10 0 FFAELO CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000103472630 508314115 /nfs/dbraw/zinc/31/41/15/508314115.db2.gz KWFBAYYDUQFFML-HNNXBMFYSA-N 1 2 373.497 2.700 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000105221614 508366520 /nfs/dbraw/zinc/36/65/20/508366520.db2.gz WIWCQKPCCSSZBV-LBPRGKRZSA-N 1 2 360.285 2.858 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000105221614 508366524 /nfs/dbraw/zinc/36/65/24/508366524.db2.gz WIWCQKPCCSSZBV-LBPRGKRZSA-N 1 2 360.285 2.858 10 0 FFAELO Cc1ccccc1C(=O)N[C@H](C(=O)NCCCNc1cccc[nH+]1)C(C)C ZINC000115160439 508373252 /nfs/dbraw/zinc/37/32/52/508373252.db2.gz NPUFNECKQZEXMD-IBGZPJMESA-N 1 2 368.481 2.763 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C(c1ccccc1)c1ccccc1 ZINC000115164499 508373648 /nfs/dbraw/zinc/37/36/48/508373648.db2.gz PVJDDVAZLPDVLO-HXUWFJFHSA-N 1 2 350.462 2.798 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C(c1ccccc1)c1ccccc1 ZINC000115164499 508373651 /nfs/dbraw/zinc/37/36/51/508373651.db2.gz PVJDDVAZLPDVLO-HXUWFJFHSA-N 1 2 350.462 2.798 10 0 FFAELO Cc1ncc(CN2CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC2)s1 ZINC000106090749 508392482 /nfs/dbraw/zinc/39/24/82/508392482.db2.gz QLIIFDDZEAQPSK-OAHLLOKOSA-N 1 2 352.548 2.603 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC2)s1 ZINC000106090749 508392483 /nfs/dbraw/zinc/39/24/83/508392483.db2.gz QLIIFDDZEAQPSK-OAHLLOKOSA-N 1 2 352.548 2.603 10 0 FFAELO CCN(C(=O)CN1CC[NH+](Cc2cnc(C)s2)CC1)C1CCCCC1 ZINC000106090803 508392553 /nfs/dbraw/zinc/39/25/53/508392553.db2.gz MYHFHBRFFDUBNE-UHFFFAOYSA-N 1 2 364.559 2.750 10 0 FFAELO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCCC[C@H]3c3nnc[nH]3)ccc12 ZINC000121739439 508407710 /nfs/dbraw/zinc/40/77/10/508407710.db2.gz UPISVNFZNUMLML-INIZCTEOSA-N 1 2 354.410 2.826 10 0 FFAELO Cc1cc(=O)oc2cc(OCC[N@H+]3CCCC[C@H]3c3nnc[nH]3)ccc12 ZINC000121739439 508407713 /nfs/dbraw/zinc/40/77/13/508407713.db2.gz UPISVNFZNUMLML-INIZCTEOSA-N 1 2 354.410 2.826 10 0 FFAELO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1C ZINC000152522813 508463457 /nfs/dbraw/zinc/46/34/57/508463457.db2.gz GLHLPVLLCWNEBV-INIZCTEOSA-N 1 2 371.437 2.539 10 0 FFAELO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1C ZINC000152522813 508463460 /nfs/dbraw/zinc/46/34/60/508463460.db2.gz GLHLPVLLCWNEBV-INIZCTEOSA-N 1 2 371.437 2.539 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3cccc(N(C)C)n3)CC2)cs1 ZINC000152540923 508466579 /nfs/dbraw/zinc/46/65/79/508466579.db2.gz HDVNMKHMZXHNRL-UHFFFAOYSA-N 1 2 374.514 2.652 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3cccc(N(C)C)n3)CC2)cs1 ZINC000152540923 508466584 /nfs/dbraw/zinc/46/65/84/508466584.db2.gz HDVNMKHMZXHNRL-UHFFFAOYSA-N 1 2 374.514 2.652 10 0 FFAELO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3Br)C2)cn1 ZINC000116312745 508498291 /nfs/dbraw/zinc/49/82/91/508498291.db2.gz VYILCESYZGQXSU-LBPRGKRZSA-N 1 2 363.259 2.611 10 0 FFAELO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3Br)C2)cn1 ZINC000116312745 508498292 /nfs/dbraw/zinc/49/82/92/508498292.db2.gz VYILCESYZGQXSU-LBPRGKRZSA-N 1 2 363.259 2.611 10 0 FFAELO Cc1ccc([C@@H]2CSCCN2C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000116528977 508525762 /nfs/dbraw/zinc/52/57/62/508525762.db2.gz OCTZAGGSORQTDR-AEFFLSMTSA-N 1 2 363.527 2.515 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)c1 ZINC000122428419 508533496 /nfs/dbraw/zinc/53/34/96/508533496.db2.gz MJXKRVWDKSWYOC-INIZCTEOSA-N 1 2 355.417 2.622 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)c1 ZINC000122428419 508533499 /nfs/dbraw/zinc/53/34/99/508533499.db2.gz MJXKRVWDKSWYOC-INIZCTEOSA-N 1 2 355.417 2.622 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)c1 ZINC000122428616 508533631 /nfs/dbraw/zinc/53/36/31/508533631.db2.gz MJXKRVWDKSWYOC-MRXNPFEDSA-N 1 2 355.417 2.622 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)c1 ZINC000122428616 508533636 /nfs/dbraw/zinc/53/36/36/508533636.db2.gz MJXKRVWDKSWYOC-MRXNPFEDSA-N 1 2 355.417 2.622 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CCO2)c1 ZINC000122484478 508542424 /nfs/dbraw/zinc/54/24/24/508542424.db2.gz DUKWJDWHODMCFF-INIZCTEOSA-N 1 2 355.360 2.991 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CCO2)c1 ZINC000122484478 508542426 /nfs/dbraw/zinc/54/24/26/508542426.db2.gz DUKWJDWHODMCFF-INIZCTEOSA-N 1 2 355.360 2.991 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000122557281 508553757 /nfs/dbraw/zinc/55/37/57/508553757.db2.gz TVOIOYZUTYCFDU-IBGZPJMESA-N 1 2 351.454 2.791 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000122557281 508553760 /nfs/dbraw/zinc/55/37/60/508553760.db2.gz TVOIOYZUTYCFDU-IBGZPJMESA-N 1 2 351.454 2.791 10 0 FFAELO O=C(CCn1ccc2cc(Cl)ccc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000136088562 508669327 /nfs/dbraw/zinc/66/93/27/508669327.db2.gz SHJVOTOKNZNYBZ-KRWDZBQOSA-N 1 2 361.873 2.618 10 0 FFAELO O=C(c1cc(-c2ccc3c(c2)CCO3)no1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000153888847 508670142 /nfs/dbraw/zinc/67/01/42/508670142.db2.gz SQDVARPMPJEDMD-MRXNPFEDSA-N 1 2 364.405 2.778 10 0 FFAELO CCc1nnc([C@@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CCO2)[nH]1 ZINC000129164975 508692594 /nfs/dbraw/zinc/69/25/94/508692594.db2.gz LVMMJSIQBJXNJQ-AWEZNQCLSA-N 1 2 352.385 2.585 10 0 FFAELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CCO2)[nH]1 ZINC000129164975 508692599 /nfs/dbraw/zinc/69/25/99/508692599.db2.gz LVMMJSIQBJXNJQ-AWEZNQCLSA-N 1 2 352.385 2.585 10 0 FFAELO COC(=O)c1ccc(CN2CC[NH+](Cc3cnc(C)s3)CC2)s1 ZINC000118973630 508698366 /nfs/dbraw/zinc/69/83/66/508698366.db2.gz LLDUYTHAMHCPDB-UHFFFAOYSA-N 1 2 351.497 2.617 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3cc2OC(F)F)C1 ZINC000129418883 508724743 /nfs/dbraw/zinc/72/47/43/508724743.db2.gz IIUXURUPBONHNX-AWEZNQCLSA-N 1 2 350.365 2.502 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3cc2OC(F)F)C1 ZINC000129418883 508724749 /nfs/dbraw/zinc/72/47/49/508724749.db2.gz IIUXURUPBONHNX-AWEZNQCLSA-N 1 2 350.365 2.502 10 0 FFAELO CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1[nH+]ccn1C(C)C ZINC000123689436 508726053 /nfs/dbraw/zinc/72/60/53/508726053.db2.gz AJLCTTYXYZYELH-UHFFFAOYSA-N 1 2 365.503 2.758 10 0 FFAELO CC1(CC(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCCCC1 ZINC000129611627 508746197 /nfs/dbraw/zinc/74/61/97/508746197.db2.gz UCKBBANDKFKWCG-LJQANCHMSA-N 1 2 374.525 2.931 10 0 FFAELO Cn1nccc1/C=C/C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129828278 508770994 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C[N@H+]1CCO[C@H](CNC(=O)c2ccc(N3CCCc4ccccc43)cc2)C1 ZINC000124558761 508851421 /nfs/dbraw/zinc/85/14/21/508851421.db2.gz HZFFXZRGEXDJDH-HXUWFJFHSA-N 1 2 365.477 2.831 10 0 FFAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000150925561 508923959 /nfs/dbraw/zinc/92/39/59/508923959.db2.gz XFDWMSRDBDWRGQ-CYBMUJFWSA-N 1 2 370.428 2.539 10 0 FFAELO CC[C@H](NC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1)[C@H]1CCCO1 ZINC000132305712 509012212 /nfs/dbraw/zinc/01/22/12/509012212.db2.gz QRRYKRFOBPEFKD-DLBZAZTESA-N 1 2 366.531 2.626 10 0 FFAELO CC[C@H](NC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1)[C@H]1CCCO1 ZINC000132305712 509012217 /nfs/dbraw/zinc/01/22/17/509012217.db2.gz QRRYKRFOBPEFKD-DLBZAZTESA-N 1 2 366.531 2.626 10 0 FFAELO O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@H]1CSC[NH2+]1 ZINC000160853449 509040106 /nfs/dbraw/zinc/04/01/06/509040106.db2.gz ALLVVYMSADWIRF-WAIKUNEKSA-N 1 2 352.525 2.869 10 0 FFAELO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c(C)[nH+]1 ZINC000156029874 509113506 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Cc1nc(CCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)oc1-c1ccccc1 ZINC000172743231 509207484 /nfs/dbraw/zinc/20/74/84/509207484.db2.gz ZWMHQLRMWMPJBV-GOSISDBHSA-N 1 2 369.465 2.516 10 0 FFAELO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(C)n1Cc1ccccc1 ZINC000172762546 509221355 /nfs/dbraw/zinc/22/13/55/509221355.db2.gz BBBSTCCQUZSSGI-HXUWFJFHSA-N 1 2 367.493 2.700 10 0 FFAELO O=C(CCc1cccc(OC2CCCC2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172768616 509224085 /nfs/dbraw/zinc/22/40/85/509224085.db2.gz RKOCXVSTHKEPQL-LJQANCHMSA-N 1 2 372.509 2.874 10 0 FFAELO COC(=O)c1cc2cc(C[N@@H+]3CCO[C@@H](Cn4cc(C)cn4)C3)ccc2o1 ZINC000172793706 509239050 /nfs/dbraw/zinc/23/90/50/509239050.db2.gz QNDXBISZLGKUSW-QGZVFWFLSA-N 1 2 369.421 2.625 10 0 FFAELO COC(=O)c1cc2cc(C[N@H+]3CCO[C@@H](Cn4cc(C)cn4)C3)ccc2o1 ZINC000172793706 509239059 /nfs/dbraw/zinc/23/90/59/509239059.db2.gz QNDXBISZLGKUSW-QGZVFWFLSA-N 1 2 369.421 2.625 10 0 FFAELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000192005577 509290465 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2.966 10 0 FFAELO CC(=O)Nc1ccc(C)c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000189122636 509421253 /nfs/dbraw/zinc/42/12/53/509421253.db2.gz SGUURXDBHZZFPU-UHFFFAOYSA-N 1 2 352.438 2.701 10 0 FFAELO CSc1cccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000182798313 509431536 /nfs/dbraw/zinc/43/15/36/509431536.db2.gz VYPCNOFGAKOEES-UHFFFAOYSA-N 1 2 372.494 2.789 10 0 FFAELO Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176343917 509455244 /nfs/dbraw/zinc/45/52/44/509455244.db2.gz GPKWFPPOSZCXMI-GOSISDBHSA-N 1 2 369.469 2.725 10 0 FFAELO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000248820275 509497010 /nfs/dbraw/zinc/49/70/10/509497010.db2.gz LHDYMPDRDSJYDB-OCCSQVGLSA-N 1 2 362.253 2.761 10 0 FFAELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000248820275 509497014 /nfs/dbraw/zinc/49/70/14/509497014.db2.gz LHDYMPDRDSJYDB-OCCSQVGLSA-N 1 2 362.253 2.761 10 0 FFAELO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1)c1nc2ccccc2s1 ZINC000173314510 509526264 /nfs/dbraw/zinc/52/62/64/509526264.db2.gz POUVOCXCUOPCKX-HNNXBMFYSA-N 1 2 355.467 2.830 10 0 FFAELO CN(C(=O)C[N@H+]1CCC[C@H]1c1cnn(C)c1)c1nc2ccccc2s1 ZINC000173314510 509526269 /nfs/dbraw/zinc/52/62/69/509526269.db2.gz POUVOCXCUOPCKX-HNNXBMFYSA-N 1 2 355.467 2.830 10 0 FFAELO C[C@@H]1CCCN(c2cc(N3CCC[C@@H](c4nnc5n4CCC5)C3)nc[nH+]2)C1 ZINC000264438754 509527109 /nfs/dbraw/zinc/52/71/09/509527109.db2.gz WKPMYFXCDNPEAO-HZPDHXFCSA-N 1 2 367.501 2.635 10 0 FFAELO C[C@@H]1CCCN(c2cc(N3CCC[C@@H](c4nnc5n4CCC5)C3)[nH+]cn2)C1 ZINC000264438754 509527119 /nfs/dbraw/zinc/52/71/19/509527119.db2.gz WKPMYFXCDNPEAO-HZPDHXFCSA-N 1 2 367.501 2.635 10 0 FFAELO CCc1nc([C@@H]2C[N@H+](C[C@H](C)Cc3ccc(OC)c(F)c3)CCO2)n[nH]1 ZINC000248892716 509532696 /nfs/dbraw/zinc/53/26/96/509532696.db2.gz TVIYSDMKHXFCAH-DYVFJYSZSA-N 1 2 362.449 2.767 10 0 FFAELO CCc1nc([C@@H]2C[N@@H+](C[C@H](C)Cc3ccc(OC)c(F)c3)CCO2)n[nH]1 ZINC000248892716 509532701 /nfs/dbraw/zinc/53/27/01/509532701.db2.gz TVIYSDMKHXFCAH-DYVFJYSZSA-N 1 2 362.449 2.767 10 0 FFAELO CCCC[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)OC ZINC000173336754 509539205 /nfs/dbraw/zinc/53/92/05/509539205.db2.gz HHDACWOLPJLOIX-OWCLPIDISA-N 1 2 354.516 2.831 10 0 FFAELO CCCC[C@H](C(=O)OC)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000173336639 509539388 /nfs/dbraw/zinc/53/93/88/509539388.db2.gz UUPHDLQOKGZXQW-CVEARBPZSA-N 1 2 354.516 2.785 10 0 FFAELO CCCC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000173336639 509539393 /nfs/dbraw/zinc/53/93/93/509539393.db2.gz UUPHDLQOKGZXQW-CVEARBPZSA-N 1 2 354.516 2.785 10 0 FFAELO C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000267577480 509549441 /nfs/dbraw/zinc/54/94/41/509549441.db2.gz GCSFEYUCZIKDHO-HNNXBMFYSA-N 1 2 353.470 2.770 10 0 FFAELO C[C@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000176506952 509551581 /nfs/dbraw/zinc/55/15/81/509551581.db2.gz JAESHBKKJJVYIV-FZMZJTMJSA-N 1 2 374.815 2.734 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cc(Cl)cn1C ZINC000176525086 509562638 /nfs/dbraw/zinc/56/26/38/509562638.db2.gz UKJVXUVVERGDQA-HNNXBMFYSA-N 1 2 367.902 2.886 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCCCO2)[NH+]2CCOCC2)s1 ZINC000176549426 509576158 /nfs/dbraw/zinc/57/61/58/509576158.db2.gz KYBFJHIUJDMENU-IAGOWNOFSA-N 1 2 366.527 2.895 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)c2cccc3c2OCO3)[NH+]2CCOCC2)s1 ZINC000176548655 509576920 /nfs/dbraw/zinc/57/69/20/509576920.db2.gz SPBZWXWPRYATOT-OAHLLOKOSA-N 1 2 374.462 2.589 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)nc2)[NH+]2CCOCC2)s1 ZINC000176557441 509581819 /nfs/dbraw/zinc/58/18/19/509581819.db2.gz QMXWMAVCTWPYNF-CQSZACIVSA-N 1 2 365.886 2.908 10 0 FFAELO Fc1ccccc1NC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000183092793 509591988 /nfs/dbraw/zinc/59/19/88/509591988.db2.gz RHIPZJZPVZCKNY-UHFFFAOYSA-N 1 2 366.444 2.937 10 0 FFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)c2cccs2)CCO1 ZINC000176579164 509592973 /nfs/dbraw/zinc/59/29/73/509592973.db2.gz DMWXCMFXHRVTDR-LRDDRELGSA-N 1 2 360.483 2.540 10 0 FFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)c2cccs2)CCO1 ZINC000176579164 509592975 /nfs/dbraw/zinc/59/29/75/509592975.db2.gz DMWXCMFXHRVTDR-LRDDRELGSA-N 1 2 360.483 2.540 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)n(C(C)C)c2C)nc[nH+]1 ZINC000173434938 509597225 /nfs/dbraw/zinc/59/72/25/509597225.db2.gz AWXZJSTUKLAAIC-INIZCTEOSA-N 1 2 370.501 2.916 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)n(C(C)C)c2C)[nH+]cn1 ZINC000173434938 509597234 /nfs/dbraw/zinc/59/72/34/509597234.db2.gz AWXZJSTUKLAAIC-INIZCTEOSA-N 1 2 370.501 2.916 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)C2(c3ccccc3C)CC2)nc[nH+]1 ZINC000173441648 509601695 /nfs/dbraw/zinc/60/16/95/509601695.db2.gz AVWDQPPKRZYRCZ-INIZCTEOSA-N 1 2 365.481 2.644 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)C2(c3ccccc3C)CC2)[nH+]cn1 ZINC000173441648 509601703 /nfs/dbraw/zinc/60/17/03/509601703.db2.gz AVWDQPPKRZYRCZ-INIZCTEOSA-N 1 2 365.481 2.644 10 0 FFAELO COc1cc[nH+]c(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1OC ZINC000249131097 509614750 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O=C(N[C@H]1COc2ccccc21)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178032480 510387861 /nfs/dbraw/zinc/38/78/61/510387861.db2.gz ZUFQCZOIDHPVNW-SFHVURJKSA-N 1 2 355.413 2.787 10 0 FFAELO Cc1nc(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)sc1C ZINC000171817418 510388317 /nfs/dbraw/zinc/38/83/17/510388317.db2.gz GNYQKLCSDNLQLA-MRXNPFEDSA-N 1 2 360.483 2.643 10 0 FFAELO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C ZINC000178041706 510396983 /nfs/dbraw/zinc/39/69/83/510396983.db2.gz JZDQAPRPTICSFM-INIZCTEOSA-N 1 2 355.486 2.581 10 0 FFAELO CC(C)c1nnc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C ZINC000178041706 510396988 /nfs/dbraw/zinc/39/69/88/510396988.db2.gz JZDQAPRPTICSFM-INIZCTEOSA-N 1 2 355.486 2.581 10 0 FFAELO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCN(c4ncccn4)C3)[nH+]cn2)C1 ZINC000171851221 510409917 /nfs/dbraw/zinc/40/99/17/510409917.db2.gz CJEUVQFTMJAKLG-HZPDHXFCSA-N 1 2 353.474 2.584 10 0 FFAELO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCN(c4ncccn4)C3)nc[nH+]2)C1 ZINC000171851221 510409921 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FFAELO CSCCCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000178708549 510732047 /nfs/dbraw/zinc/73/20/47/510732047.db2.gz XBTGTJSRYNSKFI-KBPBESRZSA-N 1 2 357.545 2.562 10 0 FFAELO CSCCCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000178708549 510732054 /nfs/dbraw/zinc/73/20/54/510732054.db2.gz XBTGTJSRYNSKFI-KBPBESRZSA-N 1 2 357.545 2.562 10 0 FFAELO Cc1nc(NC(=O)[C@H]2COCC[NH2+]2)sc1Cc1ccccc1Cl ZINC000195248881 510737708 /nfs/dbraw/zinc/73/77/08/510737708.db2.gz KXEVTGOVUNCRIL-CYBMUJFWSA-N 1 2 351.859 2.623 10 0 FFAELO COCCC[C@@H](C)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000182119046 510767498 /nfs/dbraw/zinc/76/74/98/510767498.db2.gz ILIVJLWYCGNKMW-HZPDHXFCSA-N 1 2 354.516 2.643 10 0 FFAELO C[C@@H](COCc1ccccc1)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178787101 510772307 /nfs/dbraw/zinc/77/23/07/510772307.db2.gz ULNSCBPPJAREOC-WMZOPIPTSA-N 1 2 354.454 2.565 10 0 FFAELO Cn1ncc2c1nc[nH+]c2N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195314247 510779124 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511859527 /nfs/dbraw/zinc/85/95/27/511859527.db2.gz KDCZHTPQBKDRSY-MRXNPFEDSA-N 1 2 353.470 2.532 10 0 FFAELO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000399487798 512960197 /nfs/dbraw/zinc/96/01/97/512960197.db2.gz SCBNTSUPGRWCAH-ONGXEEELSA-N 1 2 361.667 2.886 10 0 FFAELO C[C@H]1CC[C@H](O)C[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000399487798 512960200 /nfs/dbraw/zinc/96/02/00/512960200.db2.gz SCBNTSUPGRWCAH-ONGXEEELSA-N 1 2 361.667 2.886 10 0 FFAELO C[C@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)c1cccnc1 ZINC000275742788 525992076 /nfs/dbraw/zinc/99/20/76/525992076.db2.gz VODKKKNLYMJXTP-FUHWJXTLSA-N 1 2 366.465 2.860 10 0 FFAELO CCn1cc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037844927 727933243 /nfs/dbraw/zinc/93/32/43/727933243.db2.gz NOVAJXJTEWUYEN-OLZOCXBDSA-N 1 2 351.248 2.991 10 0 FFAELO C[NH+](C)C[C@H](NC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000043868862 727975136 /nfs/dbraw/zinc/97/51/36/727975136.db2.gz LFVIJKWAFVSNSD-KRWDZBQOSA-N 1 2 361.467 2.515 10 0 FFAELO CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C ZINC000171586159 729008044 /nfs/dbraw/zinc/00/80/44/729008044.db2.gz LSQBRKBHGAHKHV-ZDUSSCGKSA-N 1 2 351.495 2.503 10 0 FFAELO Cc1cc(-c2ncccc2NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cs1 ZINC000189202420 729397100 /nfs/dbraw/zinc/39/71/00/729397100.db2.gz HTFSJXBOTGFHCI-CYBMUJFWSA-N 1 2 360.483 2.961 10 0 FFAELO C[C@H](CNC(=O)Nc1ncc(Cc2ccccc2)s1)[NH+]1CCOCC1 ZINC000192730597 729457410 /nfs/dbraw/zinc/45/74/10/729457410.db2.gz PEDWEARYKDPNPT-CQSZACIVSA-N 1 2 360.483 2.576 10 0 FFAELO Cc1noc2ncnc(NC[C@H](c3cccs3)[N@H+]3CCO[C@H](C)C3)c12 ZINC000193394621 729477131 /nfs/dbraw/zinc/47/71/31/729477131.db2.gz IOGSVWBMTGUKGV-DGCLKSJQSA-N 1 2 359.455 2.862 10 0 FFAELO Cc1noc2ncnc(NC[C@H](c3cccs3)[N@@H+]3CCO[C@H](C)C3)c12 ZINC000193394621 729477132 /nfs/dbraw/zinc/47/71/32/729477132.db2.gz IOGSVWBMTGUKGV-DGCLKSJQSA-N 1 2 359.455 2.862 10 0 FFAELO CCCC[C@@H]1NC(=O)N(C[N@@H+]2CCC[C@H](c3nc(CC)cs3)C2)C1=O ZINC000195311190 729535591 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COC(=O)CC[N@@H+](Cc1c(C)nn(C)c1OC)Cc1ccc(F)c(F)c1 ZINC000093280733 250027679 /nfs/dbraw/zinc/02/76/79/250027679.db2.gz ZQMYTUPDURJVNK-UHFFFAOYSA-N 1 2 367.396 2.581 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000105280075 250207400 /nfs/dbraw/zinc/20/74/00/250207400.db2.gz SAIOZGGDVGYHBA-HNNXBMFYSA-N 1 2 374.510 2.516 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000105280075 250207403 /nfs/dbraw/zinc/20/74/03/250207403.db2.gz SAIOZGGDVGYHBA-HNNXBMFYSA-N 1 2 374.510 2.516 10 0 FFAELO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081102 250232167 /nfs/dbraw/zinc/23/21/67/250232167.db2.gz OACXLTCITCGLAQ-AWEZNQCLSA-N 1 2 357.433 2.828 10 0 FFAELO CCc1ccccc1NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106085347 250232319 /nfs/dbraw/zinc/23/23/19/250232319.db2.gz JCMFPGGHCDSWIA-UHFFFAOYSA-N 1 2 353.470 2.578 10 0 FFAELO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081717 250233166 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Cc1nc(CN2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)no1 ZINC000106147213 250244508 /nfs/dbraw/zinc/24/45/08/250244508.db2.gz XJGKCOKLLUQPJE-MRXNPFEDSA-N 1 2 371.485 2.530 10 0 FFAELO Cc1nc(CN2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)no1 ZINC000106147213 250244514 /nfs/dbraw/zinc/24/45/14/250244514.db2.gz XJGKCOKLLUQPJE-MRXNPFEDSA-N 1 2 371.485 2.530 10 0 FFAELO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000106158888 250246003 /nfs/dbraw/zinc/24/60/03/250246003.db2.gz LGVJIJNWXKPCDL-UHFFFAOYSA-N 1 2 353.923 2.719 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1c3ccccc3C[C@@H]1C)C2 ZINC000106369920 250265322 /nfs/dbraw/zinc/26/53/22/250265322.db2.gz WTTPURQQYCSESI-HNNXBMFYSA-N 1 2 352.482 2.879 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)Nc1cccnc1Cl)C2 ZINC000106373330 250267592 /nfs/dbraw/zinc/26/75/92/250267592.db2.gz KXCXMSGXHAHMGJ-GFCCVEGCSA-N 1 2 361.877 2.977 10 0 FFAELO COc1cc(NC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc(OC)c1 ZINC000106371750 250264902 /nfs/dbraw/zinc/26/49/02/250264902.db2.gz LJYVBOZFLUZIHT-UHFFFAOYSA-N 1 2 372.469 2.558 10 0 FFAELO COc1cc(Cl)ccc1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000107730580 250310635 /nfs/dbraw/zinc/31/06/35/250310635.db2.gz NAOHELSDIXVMRB-UHFFFAOYSA-N 1 2 371.828 2.929 10 0 FFAELO CC(=O)Nc1ccc(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000111713370 250314811 /nfs/dbraw/zinc/31/48/11/250314811.db2.gz JRZNAJPDTIOKEN-UHFFFAOYSA-N 1 2 373.482 2.760 10 0 FFAELO C[C@@H]1CCCN(c2cc(N[C@@H]3CCN(C(=O)C4CCCC4)C3)[nH+]cn2)C1 ZINC000132136702 251049270 /nfs/dbraw/zinc/04/92/70/251049270.db2.gz BGYVPVXSCMZJJV-NVXWUHKLSA-N 1 2 357.502 2.916 10 0 FFAELO C[C@@H]1CCCN(c2cc(N[C@@H]3CCN(C(=O)C4CCCC4)C3)nc[nH+]2)C1 ZINC000132136702 251049273 /nfs/dbraw/zinc/04/92/73/251049273.db2.gz BGYVPVXSCMZJJV-NVXWUHKLSA-N 1 2 357.502 2.916 10 0 FFAELO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000186815861 251269633 /nfs/dbraw/zinc/26/96/33/251269633.db2.gz DXGMESHRBBYYFV-SJCJKPOMSA-N 1 2 361.392 2.706 10 0 FFAELO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000186815861 251269638 /nfs/dbraw/zinc/26/96/38/251269638.db2.gz DXGMESHRBBYYFV-SJCJKPOMSA-N 1 2 361.392 2.706 10 0 FFAELO C[C@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)[NH+]1CCOCC1 ZINC000029960016 208000865 /nfs/dbraw/zinc/00/08/65/208000865.db2.gz RYYOIVNESWHOQQ-GFCCVEGCSA-N 1 2 365.886 2.914 10 0 FFAELO Cc1c2ccccc2oc1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000275671114 256036543 /nfs/dbraw/zinc/03/65/43/256036543.db2.gz RAWIZLNJRJMDAN-MRXNPFEDSA-N 1 2 367.453 2.673 10 0 FFAELO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)CCCC2 ZINC000278485052 256317570 /nfs/dbraw/zinc/31/75/70/256317570.db2.gz GEOQJSUNAKQAIA-INIZCTEOSA-N 1 2 363.458 2.964 10 0 FFAELO O=c1c(Cl)c(N2CCC(n3cc[nH+]c3)CC2)cnn1-c1ccccc1 ZINC000301235530 258035709 /nfs/dbraw/zinc/03/57/09/258035709.db2.gz LNJMBFYFHLXEIR-UHFFFAOYSA-N 1 2 355.829 2.924 10 0 FFAELO Cc1ccc(C[C@H](CO)CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302859324 258112633 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CC(C)Oc1c(Cl)cccc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000118556399 508655321 /nfs/dbraw/zinc/65/53/21/508655321.db2.gz QTBQRKSLXBEZBN-CYBMUJFWSA-N 1 2 355.866 2.969 10 0 FFAELO Cc1ccc(-c2cncc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)c2)cc1 ZINC000136002745 508664265 /nfs/dbraw/zinc/66/42/65/508664265.db2.gz FZSTVVYDRVCQOJ-LAUBAEHRSA-N 1 2 365.477 2.850 10 0 FFAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)cc4c3OCOC4)[C@@H]2C1 ZINC000158193396 508670307 /nfs/dbraw/zinc/67/03/07/508670307.db2.gz GYTUDAMRHZXBIK-BRWVUGGUSA-N 1 2 353.846 2.975 10 0 FFAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Cl)cc4c3OCOC4)[C@@H]2C1 ZINC000158193396 508670309 /nfs/dbraw/zinc/67/03/09/508670309.db2.gz GYTUDAMRHZXBIK-BRWVUGGUSA-N 1 2 353.846 2.975 10 0 FFAELO COc1cc(F)ccc1NC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000118800740 508675016 /nfs/dbraw/zinc/67/50/16/508675016.db2.gz CPVWWLMSIDKZDI-GOSISDBHSA-N 1 2 373.428 2.717 10 0 FFAELO C[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1nc(C(C)(C)C)no1 ZINC000154135711 508723367 /nfs/dbraw/zinc/72/33/67/508723367.db2.gz BUHNDEADOFPOTE-OCCSQVGLSA-N 1 2 359.430 2.686 10 0 FFAELO Cc1csc([C@H]2C[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)CCO2)n1 ZINC000158906654 508766512 /nfs/dbraw/zinc/76/65/12/508766512.db2.gz QSPVUYRFSPPVGM-KBXCAEBGSA-N 1 2 373.478 2.746 10 0 FFAELO Cc1csc([C@H]2C[N@@H+](C[C@H](O)COc3cccc4[nH]ccc43)CCO2)n1 ZINC000158906654 508766515 /nfs/dbraw/zinc/76/65/15/508766515.db2.gz QSPVUYRFSPPVGM-KBXCAEBGSA-N 1 2 373.478 2.746 10 0 FFAELO Cc1ccc([C@@H]2C[N@H+](CCCN3C(=O)c4ccccc4C3=O)CCO2)o1 ZINC000158982688 508776888 /nfs/dbraw/zinc/77/68/88/508776888.db2.gz LFVGZMDISVWPCF-SFHVURJKSA-N 1 2 354.406 2.648 10 0 FFAELO Cc1ccc([C@@H]2C[N@@H+](CCCN3C(=O)c4ccccc4C3=O)CCO2)o1 ZINC000158982688 508776890 /nfs/dbraw/zinc/77/68/90/508776890.db2.gz LFVGZMDISVWPCF-SFHVURJKSA-N 1 2 354.406 2.648 10 0 FFAELO CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000130951217 508869022 /nfs/dbraw/zinc/86/90/22/508869022.db2.gz LTRVZLYCGZPKSF-ZDUSSCGKSA-N 1 2 351.401 2.978 10 0 FFAELO CCc1nnc(CN2CC[NH+]([C@H](CC)c3ccc(F)cc3F)CC2)n1C ZINC000154930858 508886082 /nfs/dbraw/zinc/88/60/82/508886082.db2.gz DZBOLVUZECRAPH-QGZVFWFLSA-N 1 2 363.456 2.925 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)C1 ZINC000125042513 508922799 /nfs/dbraw/zinc/92/27/99/508922799.db2.gz ANHIEBRPDXJLLU-XJKSGUPXSA-N 1 2 355.429 2.682 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)C1 ZINC000125042513 508922803 /nfs/dbraw/zinc/92/28/03/508922803.db2.gz ANHIEBRPDXJLLU-XJKSGUPXSA-N 1 2 355.429 2.682 10 0 FFAELO COC(=O)c1cc(CN2CC[NH+](Cc3cnc(C)s3)CC2)c(C)s1 ZINC000151046401 508946567 /nfs/dbraw/zinc/94/65/67/508946567.db2.gz CYDJLTITQKLKPU-UHFFFAOYSA-N 1 2 365.524 2.926 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)NC2(c3ccc(F)cc3F)CCCCC2)C1 ZINC000133185609 509129164 /nfs/dbraw/zinc/12/91/64/509129164.db2.gz XIQURWGBQJDAGE-OAHLLOKOSA-N 1 2 367.440 2.754 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)NC2(c3ccc(F)cc3F)CCCCC2)C1 ZINC000133185609 509129166 /nfs/dbraw/zinc/12/91/66/509129166.db2.gz XIQURWGBQJDAGE-OAHLLOKOSA-N 1 2 367.440 2.754 10 0 FFAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3cn(-c4ccccc4)nc3C)CC2)n1 ZINC000121257769 509158327 /nfs/dbraw/zinc/15/83/27/509158327.db2.gz COMRGHMYYYYULC-MRXNPFEDSA-N 1 2 366.469 2.751 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(OC)c3F)CC2)cn1 ZINC000127033964 509161068 /nfs/dbraw/zinc/16/10/68/509161068.db2.gz LLFXMPZXJYJSPZ-UHFFFAOYSA-N 1 2 374.460 2.789 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(OC)c3F)CC2)cn1 ZINC000127033964 509161072 /nfs/dbraw/zinc/16/10/72/509161072.db2.gz LLFXMPZXJYJSPZ-UHFFFAOYSA-N 1 2 374.460 2.789 10 0 FFAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000195504933 509197671 /nfs/dbraw/zinc/19/76/71/509197671.db2.gz NRYKTCBVPFJHIG-CYBMUJFWSA-N 1 2 355.442 2.575 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)CC(C)(C)CC(C)=O)CC2)cn1 ZINC000191830958 509201248 /nfs/dbraw/zinc/20/12/48/509201248.db2.gz RKWWTYTZKWBDDX-UHFFFAOYSA-N 1 2 362.518 2.723 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)CC(C)(C)CC(C)=O)CC2)cn1 ZINC000191830958 509201255 /nfs/dbraw/zinc/20/12/55/509201255.db2.gz RKWWTYTZKWBDDX-UHFFFAOYSA-N 1 2 362.518 2.723 10 0 FFAELO Cc1nc(CCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)oc1-c1ccccc1 ZINC000172743228 509207301 /nfs/dbraw/zinc/20/73/01/509207301.db2.gz ZWMHQLRMWMPJBV-SFHVURJKSA-N 1 2 369.465 2.516 10 0 FFAELO O=C(CCc1ccc(-c2ccccc2F)o1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172748224 509210922 /nfs/dbraw/zinc/21/09/22/509210922.db2.gz IYIGUHZKHMLCEA-MRXNPFEDSA-N 1 2 372.440 2.951 10 0 FFAELO O=C(N1CC[C@@H]([NH+]2CCOCC2)C1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000172752857 509213032 /nfs/dbraw/zinc/21/30/32/509213032.db2.gz KCXZDTPDNFSRDM-MRXNPFEDSA-N 1 2 368.399 2.670 10 0 FFAELO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172753331 509213617 /nfs/dbraw/zinc/21/36/17/509213617.db2.gz DHJBVRGAYNJFBB-QWHCGFSZSA-N 1 2 373.280 2.694 10 0 FFAELO CC(=O)c1c(F)cccc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000172756646 509216685 /nfs/dbraw/zinc/21/66/85/509216685.db2.gz DCCXSWPDZQABHR-QGZVFWFLSA-N 1 2 372.440 2.590 10 0 FFAELO O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764804 509220921 /nfs/dbraw/zinc/22/09/21/509220921.db2.gz ZJUXLPWMCRHTCF-PWRODBHTSA-N 1 2 350.462 2.876 10 0 FFAELO C[C@H]1COC[C@H](C)N1C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000182493162 509269621 /nfs/dbraw/zinc/26/96/21/509269621.db2.gz RVUJJNYQQPONFL-GJZGRUSLSA-N 1 2 369.465 2.793 10 0 FFAELO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191986190 509278687 /nfs/dbraw/zinc/27/86/87/509278687.db2.gz RVXHMNHMXHYAON-ZDUSSCGKSA-N 1 2 364.490 2.746 10 0 FFAELO Cn1c[nH+]cc1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1 ZINC000225685036 509384636 /nfs/dbraw/zinc/38/46/36/509384636.db2.gz IRHWMIKOLGNSSC-UHFFFAOYSA-N 1 2 360.421 2.862 10 0 FFAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179350488 509392860 /nfs/dbraw/zinc/39/28/60/509392860.db2.gz IVONSEHBHPQQPS-ZWKOTPCHSA-N 1 2 367.497 2.561 10 0 FFAELO COc1ccc(-n2ccc(CN[C@H](c3[nH]cc[nH+]3)c3ccncc3)n2)cc1 ZINC000189112137 509416993 /nfs/dbraw/zinc/41/69/93/509416993.db2.gz GNNFVCAXKAFTGU-IBGZPJMESA-N 1 2 360.421 2.878 10 0 FFAELO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000192251804 509427218 /nfs/dbraw/zinc/42/72/18/509427218.db2.gz QZPVIKIYYVGNKF-MRXNPFEDSA-N 1 2 371.485 2.894 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1ccc3c(c1)CCC3)C2 ZINC000182809593 509437717 /nfs/dbraw/zinc/43/77/17/509437717.db2.gz YGOGUKITRLYBAX-UHFFFAOYSA-N 1 2 366.465 2.556 10 0 FFAELO Cn1ccnc1-c1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000176352161 509460778 /nfs/dbraw/zinc/46/07/78/509460778.db2.gz IWWVQNXGCXPYMF-QGZVFWFLSA-N 1 2 350.426 2.980 10 0 FFAELO CCn1cc([C@@H]2C[N@H+](Cc3cc(OC)cc4c3O[C@@H](C)C4)CCO2)cn1 ZINC000248825198 509499243 /nfs/dbraw/zinc/49/92/43/509499243.db2.gz GROPOOXRZPQTHH-LIRRHRJNSA-N 1 2 357.454 2.809 10 0 FFAELO CCn1cc([C@@H]2C[N@@H+](Cc3cc(OC)cc4c3O[C@@H](C)C4)CCO2)cn1 ZINC000248825198 509499253 /nfs/dbraw/zinc/49/92/53/509499253.db2.gz GROPOOXRZPQTHH-LIRRHRJNSA-N 1 2 357.454 2.809 10 0 FFAELO CSc1ccsc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000173294814 509511285 /nfs/dbraw/zinc/51/12/85/509511285.db2.gz DITKGETWJYNFOO-CQSZACIVSA-N 1 2 353.557 2.712 10 0 FFAELO Cc1cccc(C)c1-n1nnnc1C[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176520116 509558080 /nfs/dbraw/zinc/55/80/80/509558080.db2.gz RQJWXPNBKLIHBV-RUZDIDTESA-N 1 2 358.471 2.505 10 0 FFAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000176521387 509560539 /nfs/dbraw/zinc/56/05/39/509560539.db2.gz PKIPDOOSPOPQFU-AWEZNQCLSA-N 1 2 372.473 2.537 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000176528727 509564440 /nfs/dbraw/zinc/56/44/40/509564440.db2.gz FMXZPWAMRZUHDN-FUHWJXTLSA-N 1 2 372.490 2.584 10 0 FFAELO COc1cccc(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000176532246 509566081 /nfs/dbraw/zinc/56/60/81/509566081.db2.gz UOGJRWUTQJBQNM-KRWDZBQOSA-N 1 2 360.479 2.902 10 0 FFAELO Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCCCO2)[NH+]2CCOCC2)s1 ZINC000176549412 509576620 /nfs/dbraw/zinc/57/66/20/509576620.db2.gz KYBFJHIUJDMENU-IRXDYDNUSA-N 1 2 366.527 2.895 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)[C@H](C)OCCC(C)C)[NH+]2CCOCC2)s1 ZINC000176574809 509590960 /nfs/dbraw/zinc/59/09/60/509590960.db2.gz QUUYOIDPZPPUNK-DLBZAZTESA-N 1 2 368.543 2.997 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnc(C(C)(C)C)s2)nc[nH+]1 ZINC000173436747 509596673 /nfs/dbraw/zinc/59/66/73/509596673.db2.gz FNMHXXOTMVPHRR-GFCCVEGCSA-N 1 2 374.514 2.671 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnc(C(C)(C)C)s2)[nH+]cn1 ZINC000173436747 509596678 /nfs/dbraw/zinc/59/66/78/509596678.db2.gz FNMHXXOTMVPHRR-GFCCVEGCSA-N 1 2 374.514 2.671 10 0 FFAELO C[C@H]1CN([C@@H](CNC(=O)c2ccc3[nH+]ccn3c2)c2cccs2)CCO1 ZINC000176591515 509599233 /nfs/dbraw/zinc/59/92/33/509599233.db2.gz VTPLNVQXKUHOLZ-HOCLYGCPSA-N 1 2 370.478 2.588 10 0 FFAELO COC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173450820 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Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174879236 510361814 /nfs/dbraw/zinc/36/18/14/510361814.db2.gz YVHSNVQMXFQPEY-SFHVURJKSA-N 1 2 368.525 2.761 10 0 FFAELO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174879236 510361820 /nfs/dbraw/zinc/36/18/20/510361820.db2.gz YVHSNVQMXFQPEY-SFHVURJKSA-N 1 2 368.525 2.761 10 0 FFAELO CN1C(=O)CC[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)[C@@H]1c1ccccc1 ZINC000171802251 510378326 /nfs/dbraw/zinc/37/83/26/510378326.db2.gz FGDWRCFKEBJCOH-QUCCMNQESA-N 1 2 366.465 2.656 10 0 FFAELO CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c[nH+]1 ZINC000246250079 510388309 /nfs/dbraw/zinc/38/83/09/510388309.db2.gz YGKIRPICDRMFBZ-CGTJXYLNSA-N 1 2 358.486 2.685 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2CC2)[NH+]2CCOCC2)s1 ZINC000174993019 510425691 /nfs/dbraw/zinc/42/56/91/510425691.db2.gz SKFYEMBPKAZGRC-GDBMZVCRSA-N 1 2 351.516 2.870 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)N2CCS[C@@H](C)C2)[NH+]2CCOCC2)s1 ZINC000175011856 510435832 /nfs/dbraw/zinc/43/58/32/510435832.db2.gz FDMLFWLLUZNJCW-LSDHHAIUSA-N 1 2 369.556 2.577 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC000187813415 510451231 /nfs/dbraw/zinc/45/12/31/510451231.db2.gz SUDSZGHYCJAAQQ-QGZVFWFLSA-N 1 2 351.878 2.560 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC000187813415 510451236 /nfs/dbraw/zinc/45/12/36/510451236.db2.gz SUDSZGHYCJAAQQ-QGZVFWFLSA-N 1 2 351.878 2.560 10 0 FFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000246391102 510460778 /nfs/dbraw/zinc/46/07/78/510460778.db2.gz VUDXOJBHBLDSEW-QXSJWSMHSA-N 1 2 369.531 2.708 10 0 FFAELO C[N@@H+]1CC[C@@H](NC(=O)NC2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246458987 510499324 /nfs/dbraw/zinc/49/93/24/510499324.db2.gz JBYHVZHMWNHJMF-DNDXXGFKSA-N 1 2 369.868 2.827 10 0 FFAELO C[N@H+]1CC[C@@H](NC(=O)NC2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246458987 510499326 /nfs/dbraw/zinc/49/93/26/510499326.db2.gz JBYHVZHMWNHJMF-DNDXXGFKSA-N 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/nfs/dbraw/zinc/14/53/19/258145319.db2.gz FRKFINUMUADKCS-CQSZACIVSA-N 1 2 366.421 2.581 10 0 FFAELO CC[C@H]1CN(C(=O)c2cn(C)nc2C2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000329744097 258146523 /nfs/dbraw/zinc/14/65/23/258146523.db2.gz QMXBAMOMXOBCBV-LPHOPBHVSA-N 1 2 374.529 2.651 10 0 FFAELO CCCOc1nc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc2ccccc21 ZINC000329752529 258146690 /nfs/dbraw/zinc/14/66/90/258146690.db2.gz WFFUVVAIMYWSTC-KRWDZBQOSA-N 1 2 369.465 2.570 10 0 FFAELO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NC[C@]2(C)CCCS2)C1 ZINC000332999440 258244472 /nfs/dbraw/zinc/24/44/72/258244472.db2.gz CNUCKDFTNQSEJS-KDOFPFPSSA-N 1 2 364.515 2.596 10 0 FFAELO Cn1c2ccc(CNC(=O)C[C@H]3CCCCC(=O)N3)cc2[nH+]c1C1CC1 ZINC000333127542 258251616 /nfs/dbraw/zinc/25/16/16/258251616.db2.gz JDDFZCAOOWXBHE-OAHLLOKOSA-N 1 2 354.454 2.516 10 0 FFAELO Nc1c(Nc2ccc(OC(F)(F)F)cc2)[nH+]cnc1N1CCOCC1 ZINC000040725280 136120114 /nfs/dbraw/zinc/12/01/14/136120114.db2.gz BPJIAXJJFFUBQF-UHFFFAOYSA-N 1 2 355.320 2.538 10 0 FFAELO COCC(=O)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259990 506277356 /nfs/dbraw/zinc/27/73/56/506277356.db2.gz LVMYNAFZOZSKSF-HXUWFJFHSA-N 1 2 356.470 2.682 10 0 FFAELO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2)C[N@@H+]1Cc1ccc(C)cc1 ZINC000055073078 506671319 /nfs/dbraw/zinc/67/13/19/506671319.db2.gz IALFDXALAYTRQO-UXHICEINSA-N 1 2 366.461 2.849 10 0 FFAELO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2)C[N@H+]1Cc1ccc(C)cc1 ZINC000055073078 506671328 /nfs/dbraw/zinc/67/13/28/506671328.db2.gz IALFDXALAYTRQO-UXHICEINSA-N 1 2 366.461 2.849 10 0 FFAELO C[C@H](CNC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC000056623824 507060147 /nfs/dbraw/zinc/06/01/47/507060147.db2.gz PPBBBMFRTODRMM-NVXWUHKLSA-N 1 2 365.905 2.777 10 0 FFAELO C[C@H](CNC(=O)CCOc1ccccc1-c1ccccc1)[NH+]1CCOCC1 ZINC000046443383 507137586 /nfs/dbraw/zinc/13/75/86/507137586.db2.gz DDPGGLNGXODENL-GOSISDBHSA-N 1 2 368.477 2.959 10 0 FFAELO C[C@@H](NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)[C@H]1CCCO1 ZINC000069001059 507377904 /nfs/dbraw/zinc/37/79/04/507377904.db2.gz KLGKYUVEKMXKKH-RDTXWAMCSA-N 1 2 369.465 2.841 10 0 FFAELO O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069971541 507595681 /nfs/dbraw/zinc/59/56/81/507595681.db2.gz ROXNMANTIBUTMA-GFCCVEGCSA-N 1 2 373.280 2.883 10 0 FFAELO CC(C)(C)n1cc(C[NH+]2CCN(Cc3noc4c3CCCC4)CC2)cn1 ZINC000108867653 507922414 /nfs/dbraw/zinc/92/24/14/507922414.db2.gz RPZPGGUGVRSIPR-UHFFFAOYSA-N 1 2 357.502 2.823 10 0 FFAELO O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000109082583 507937223 /nfs/dbraw/zinc/93/72/23/507937223.db2.gz BWHALZCEIVEYLA-DLBZAZTESA-N 1 2 357.404 2.808 10 0 FFAELO O=C(c1ccc2ncccc2c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000109645825 507975080 /nfs/dbraw/zinc/97/50/80/507975080.db2.gz YYHHJSIWDMCZCE-OAQYLSRUSA-N 1 2 361.445 2.726 10 0 FFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)Oc3cccc(F)c3)CC2)cn1 ZINC000109662745 507977625 /nfs/dbraw/zinc/97/76/25/507977625.db2.gz OATXUQYKTBLSIU-INIZCTEOSA-N 1 2 374.460 2.544 10 0 FFAELO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)Oc3cccc(F)c3)CC2)cn1 ZINC000109662745 507977627 /nfs/dbraw/zinc/97/76/27/507977627.db2.gz OATXUQYKTBLSIU-INIZCTEOSA-N 1 2 374.460 2.544 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3sc(C)nc3C)CC2)cn1 ZINC000109664694 507977979 /nfs/dbraw/zinc/97/79/79/507977979.db2.gz MXUDKNGQUAKRBI-UHFFFAOYSA-N 1 2 361.515 2.715 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3sc(C)nc3C)CC2)cn1 ZINC000109664694 507977981 /nfs/dbraw/zinc/97/79/81/507977981.db2.gz MXUDKNGQUAKRBI-UHFFFAOYSA-N 1 2 361.515 2.715 10 0 FFAELO C[C@@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1noc(Cc2ccccc2)n1 ZINC000079729016 507996297 /nfs/dbraw/zinc/99/62/97/507996297.db2.gz IABRKOJVORHLNC-UKRRQHHQSA-N 1 2 351.410 2.612 10 0 FFAELO COc1ccc(C(C)(C)CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000110373632 508024624 /nfs/dbraw/zinc/02/46/24/508024624.db2.gz RJXAGJLCKMEVLL-MRXNPFEDSA-N 1 2 356.470 2.836 10 0 FFAELO COc1ccc(C(C)(C)CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000110373632 508024627 /nfs/dbraw/zinc/02/46/27/508024627.db2.gz RJXAGJLCKMEVLL-MRXNPFEDSA-N 1 2 356.470 2.836 10 0 FFAELO c1c(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)nc2ncccn12 ZINC000111244951 508081526 /nfs/dbraw/zinc/08/15/26/508081526.db2.gz OXDUJNRRZKDLJB-UHFFFAOYSA-N 1 2 371.448 2.509 10 0 FFAELO COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CC2)cc1 ZINC000080533484 508082021 /nfs/dbraw/zinc/08/20/21/508082021.db2.gz QVARHIFUVWBOAI-GOSISDBHSA-N 1 2 367.449 2.891 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1 ZINC000112195867 508159403 /nfs/dbraw/zinc/15/94/03/508159403.db2.gz GHMRQNSCQOEXNR-INIZCTEOSA-N 1 2 362.376 2.818 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1 ZINC000112195867 508159405 /nfs/dbraw/zinc/15/94/05/508159405.db2.gz GHMRQNSCQOEXNR-INIZCTEOSA-N 1 2 362.376 2.818 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(Br)cn1)C2 ZINC000112663756 508207150 /nfs/dbraw/zinc/20/71/50/508207150.db2.gz SZPBHPKHMCMYBY-UHFFFAOYSA-N 1 2 363.259 2.900 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@]1(C)Cc3ccccc3C(=O)O1)C2 ZINC000112667605 508208006 /nfs/dbraw/zinc/20/80/06/508208006.db2.gz YSSQPOCBVCZBCW-OAQYLSRUSA-N 1 2 367.449 2.600 10 0 FFAELO CO[C@H](CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1ccccc1 ZINC000112742181 508218676 /nfs/dbraw/zinc/21/86/76/508218676.db2.gz MUSLADVLXACZGK-GOSISDBHSA-N 1 2 356.470 2.999 10 0 FFAELO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCCC[C@@H]2O)C[C@@H](C)O1 ZINC000103289705 508304748 /nfs/dbraw/zinc/30/47/48/508304748.db2.gz BUBZRZHKUDKMKG-RGCFKVTRSA-N 1 2 361.486 2.721 10 0 FFAELO CCOCc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114484102 508321414 /nfs/dbraw/zinc/32/14/14/508321414.db2.gz QHEOAEFPIWYYMJ-IBGZPJMESA-N 1 2 356.470 2.790 10 0 FFAELO CCOCc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114484102 508321416 /nfs/dbraw/zinc/32/14/16/508321416.db2.gz QHEOAEFPIWYYMJ-IBGZPJMESA-N 1 2 356.470 2.790 10 0 FFAELO Cc1ccc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1F ZINC000087034691 508332951 /nfs/dbraw/zinc/33/29/51/508332951.db2.gz NSPLHFBLBWJWET-HNNXBMFYSA-N 1 2 372.444 2.926 10 0 FFAELO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104797830 508347679 /nfs/dbraw/zinc/34/76/79/508347679.db2.gz RWHOHBRVNBFMOR-ZDUSSCGKSA-N 1 2 360.285 2.856 10 0 FFAELO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104797830 508347681 /nfs/dbraw/zinc/34/76/81/508347681.db2.gz RWHOHBRVNBFMOR-ZDUSSCGKSA-N 1 2 360.285 2.856 10 0 FFAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C(c1ccccc1)c1ccccc1 ZINC000115164501 508373719 /nfs/dbraw/zinc/37/37/19/508373719.db2.gz PVJDDVAZLPDVLO-FQEVSTJZSA-N 1 2 350.462 2.798 10 0 FFAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C(c1ccccc1)c1ccccc1 ZINC000115164501 508373720 /nfs/dbraw/zinc/37/37/20/508373720.db2.gz PVJDDVAZLPDVLO-FQEVSTJZSA-N 1 2 350.462 2.798 10 0 FFAELO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000106095115 508392928 /nfs/dbraw/zinc/39/29/28/508392928.db2.gz FAZBVQWZPKALQH-HOTGVXAUSA-N 1 2 358.486 2.952 10 0 FFAELO Cc1cc(C)cc(OC[C@H](O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000106378986 508399987 /nfs/dbraw/zinc/39/99/87/508399987.db2.gz QMVGCXWXLAARBO-QGZVFWFLSA-N 1 2 357.498 2.958 10 0 FFAELO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106378986 508399988 /nfs/dbraw/zinc/39/99/88/508399988.db2.gz QMVGCXWXLAARBO-QGZVFWFLSA-N 1 2 357.498 2.958 10 0 FFAELO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106378986 508399989 /nfs/dbraw/zinc/39/99/89/508399989.db2.gz QMVGCXWXLAARBO-QGZVFWFLSA-N 1 2 357.498 2.958 10 0 FFAELO COc1ccc(-c2noc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)n2)cc1 ZINC000152398483 508438489 /nfs/dbraw/zinc/43/84/89/508438489.db2.gz QWRGQZAZIDSXSI-KRWDZBQOSA-N 1 2 352.394 2.794 10 0 FFAELO COc1ccc(-c2noc(C[N@H+]3CC[C@H](Oc4cccnc4)C3)n2)cc1 ZINC000152398483 508438492 /nfs/dbraw/zinc/43/84/92/508438492.db2.gz QWRGQZAZIDSXSI-KRWDZBQOSA-N 1 2 352.394 2.794 10 0 FFAELO Cc1ccc([C@H](CNC(=O)/C=C/c2cncc(C)c2)[NH+]2CCOCC2)s1 ZINC000152461218 508450841 /nfs/dbraw/zinc/45/08/41/508450841.db2.gz OVRRQGXDSFPYAD-JXTAAOLFSA-N 1 2 371.506 2.963 10 0 FFAELO COCCc1cc(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n(C)n1 ZINC000127631400 508479651 /nfs/dbraw/zinc/47/96/51/508479651.db2.gz IQXVUPKOWJWARR-AWEZNQCLSA-N 1 2 368.441 2.677 10 0 FFAELO O=S(=O)(c1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)o1)N1CCCC1 ZINC000116290483 508494995 /nfs/dbraw/zinc/49/49/95/508494995.db2.gz FINJNIPLSUMESN-HNNXBMFYSA-N 1 2 350.440 2.994 10 0 FFAELO O=S(=O)(c1ccc(C[N@H+]2CCC[C@H]2c2ccco2)o1)N1CCCC1 ZINC000116290483 508494996 /nfs/dbraw/zinc/49/49/96/508494996.db2.gz FINJNIPLSUMESN-HNNXBMFYSA-N 1 2 350.440 2.994 10 0 FFAELO c1cnn(C[C@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)CCO2)c1 ZINC000122226595 508502699 /nfs/dbraw/zinc/50/26/99/508502699.db2.gz VEVCYMQXQJJLBQ-HXUWFJFHSA-N 1 2 364.449 2.758 10 0 FFAELO c1cnn(C[C@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)CCO2)c1 ZINC000122226595 508502702 /nfs/dbraw/zinc/50/27/02/508502702.db2.gz VEVCYMQXQJJLBQ-HXUWFJFHSA-N 1 2 364.449 2.758 10 0 FFAELO COc1ccc2nc(C3CC3)cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)c2c1 ZINC000156978743 508505441 /nfs/dbraw/zinc/50/54/41/508505441.db2.gz JDIKJMXARBPUOD-CQSZACIVSA-N 1 2 369.465 2.571 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3C)CCO2)c1 ZINC000122366803 508523473 /nfs/dbraw/zinc/52/34/73/508523473.db2.gz DIZJBCHYVVVFPQ-FQEVSTJZSA-N 1 2 351.454 2.587 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3C)CCO2)c1 ZINC000122366803 508523474 /nfs/dbraw/zinc/52/34/74/508523474.db2.gz DIZJBCHYVVVFPQ-FQEVSTJZSA-N 1 2 351.454 2.587 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+](Cc3c(C)nn(-c4ccccc4)c3C)CCO2)c1 ZINC000122394266 508528091 /nfs/dbraw/zinc/52/80/91/508528091.db2.gz QHBIUMNTXSCVOO-HXUWFJFHSA-N 1 2 365.481 2.895 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3c(C)nn(-c4ccccc4)c3C)CCO2)c1 ZINC000122394266 508528092 /nfs/dbraw/zinc/52/80/92/508528092.db2.gz QHBIUMNTXSCVOO-HXUWFJFHSA-N 1 2 365.481 2.895 10 0 FFAELO Cn1nc(-c2ccccc2)c(C[NH+]2CCN(c3cccnn3)CC2)c1Cl ZINC000127999021 508533068 /nfs/dbraw/zinc/53/30/68/508533068.db2.gz AQVLMWGGFNJHED-UHFFFAOYSA-N 1 2 368.872 2.853 10 0 FFAELO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1O ZINC000128116558 508550055 /nfs/dbraw/zinc/55/00/55/508550055.db2.gz OQNOCJNOLYBIMM-LLVKDONJSA-N 1 2 373.280 2.930 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)s1 ZINC000116759250 508555713 /nfs/dbraw/zinc/55/57/13/508555713.db2.gz CIPCDXAKXAUNRQ-UHFFFAOYSA-N 1 2 367.478 2.595 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Nc1ccc(F)cn1 ZINC000122642244 508566445 /nfs/dbraw/zinc/56/64/45/508566445.db2.gz SMFRLPULRYSJBK-AWEZNQCLSA-N 1 2 364.446 2.819 10 0 FFAELO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC(Cn2cccn2)CC1 ZINC000122692615 508572849 /nfs/dbraw/zinc/57/28/49/508572849.db2.gz QNWZKZLMQJLBIT-UHFFFAOYSA-N 1 2 368.485 2.500 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@@H]1C ZINC000117285112 508588680 /nfs/dbraw/zinc/58/86/80/508588680.db2.gz MIPMKTPSOVQPFW-ZDUSSCGKSA-N 1 2 352.500 2.507 10 0 FFAELO COCC[N@H+]1CCN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@@H]1C ZINC000117285112 508588684 /nfs/dbraw/zinc/58/86/84/508588684.db2.gz MIPMKTPSOVQPFW-ZDUSSCGKSA-N 1 2 352.500 2.507 10 0 FFAELO Cn1nccc1C1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000157622043 508588980 /nfs/dbraw/zinc/58/89/80/508588980.db2.gz WATPQZDBVVMBJE-UHFFFAOYSA-N 1 2 364.453 2.695 10 0 FFAELO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1C ZINC000117310879 508592717 /nfs/dbraw/zinc/59/27/17/508592717.db2.gz HGDCSJNZZBBWEG-FQEVSTJZSA-N 1 2 368.477 2.501 10 0 FFAELO COC(=O)c1ccc(CN2CC[NH+](Cc3cnc(C)s3)CC2)c(F)c1 ZINC000135417347 508601496 /nfs/dbraw/zinc/60/14/96/508601496.db2.gz NCUAGQBTTCWXAL-UHFFFAOYSA-N 1 2 363.458 2.695 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N([C@H](C)C(C)C)C2CC2)nc[nH+]1 ZINC000122890374 508603233 /nfs/dbraw/zinc/60/32/33/508603233.db2.gz JKLUOLWRZKYUQY-ZBFHGGJFSA-N 1 2 360.506 2.706 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N([C@H](C)C(C)C)C2CC2)[nH+]cn1 ZINC000122890374 508603237 /nfs/dbraw/zinc/60/32/37/508603237.db2.gz JKLUOLWRZKYUQY-ZBFHGGJFSA-N 1 2 360.506 2.706 10 0 FFAELO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc1OC ZINC000129100205 508683220 /nfs/dbraw/zinc/68/32/20/508683220.db2.gz NAXWCFXBMZGSJQ-QGZVFWFLSA-N 1 2 360.458 2.738 10 0 FFAELO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc1OC ZINC000129100205 508683225 /nfs/dbraw/zinc/68/32/25/508683225.db2.gz NAXWCFXBMZGSJQ-QGZVFWFLSA-N 1 2 360.458 2.738 10 0 FFAELO Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000154037195 508703870 /nfs/dbraw/zinc/70/38/70/508703870.db2.gz FDMKIGQYSLRKQK-QGZVFWFLSA-N 1 2 359.514 3.000 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC2(c3cccs3)CCCCC2)C1 ZINC000154152104 508726722 /nfs/dbraw/zinc/72/67/22/508726722.db2.gz UYIXKAWWEJIPNM-OAHLLOKOSA-N 1 2 351.516 2.580 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)NCC2(c3cccs3)CCCCC2)C1 ZINC000154152104 508726726 /nfs/dbraw/zinc/72/67/26/508726726.db2.gz UYIXKAWWEJIPNM-OAHLLOKOSA-N 1 2 351.516 2.580 10 0 FFAELO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCS2)[NH+]2CCOCC2)s1 ZINC000123734229 508730634 /nfs/dbraw/zinc/73/06/34/508730634.db2.gz BEFJGFOPRBMTPY-GJZGRUSLSA-N 1 2 369.556 2.625 10 0 FFAELO Cc1ccc([C@H]2CN(CC[N@@H+]3CCO[C@H](c4ccc(C)o4)C3)CCO2)o1 ZINC000158770066 508750539 /nfs/dbraw/zinc/75/05/39/508750539.db2.gz HZUHQMXSQZNMFN-BGYRXZFFSA-N 1 2 360.454 2.936 10 0 FFAELO Cc1ccc([C@H]2CN(CC[N@H+]3CCO[C@H](c4ccc(C)o4)C3)CCO2)o1 ZINC000158770066 508750543 /nfs/dbraw/zinc/75/05/43/508750543.db2.gz HZUHQMXSQZNMFN-BGYRXZFFSA-N 1 2 360.454 2.936 10 0 FFAELO Cc1ccc([C@H]2C[N@H+](CCN3CCO[C@H](c4ccc(C)o4)C3)CCO2)o1 ZINC000158770066 508750548 /nfs/dbraw/zinc/75/05/48/508750548.db2.gz HZUHQMXSQZNMFN-BGYRXZFFSA-N 1 2 360.454 2.936 10 0 FFAELO Cc1ccc([C@H]2C[N@@H+](CCN3CCO[C@H](c4ccc(C)o4)C3)CCO2)o1 ZINC000158770066 508750550 /nfs/dbraw/zinc/75/05/50/508750550.db2.gz HZUHQMXSQZNMFN-BGYRXZFFSA-N 1 2 360.454 2.936 10 0 FFAELO COc1cc(C)ccc1OCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119276789 508762632 /nfs/dbraw/zinc/76/26/32/508762632.db2.gz DEVPWQIJOHXINO-MRXNPFEDSA-N 1 2 357.454 2.597 10 0 FFAELO Cc1csc([C@@H]2C[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)CCO2)n1 ZINC000158906501 508766614 /nfs/dbraw/zinc/76/66/14/508766614.db2.gz QSPVUYRFSPPVGM-KSSFIOAISA-N 1 2 373.478 2.746 10 0 FFAELO Cc1csc([C@@H]2C[N@@H+](C[C@H](O)COc3cccc4[nH]ccc43)CCO2)n1 ZINC000158906501 508766616 /nfs/dbraw/zinc/76/66/16/508766616.db2.gz QSPVUYRFSPPVGM-KSSFIOAISA-N 1 2 373.478 2.746 10 0 FFAELO Cc1ccc([C@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)o1 ZINC000159173584 508803177 /nfs/dbraw/zinc/80/31/77/508803177.db2.gz HJFAKQKPDRSHGE-QGZVFWFLSA-N 1 2 357.410 2.700 10 0 FFAELO Cc1ccc([C@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)o1 ZINC000159173584 508803183 /nfs/dbraw/zinc/80/31/83/508803183.db2.gz HJFAKQKPDRSHGE-QGZVFWFLSA-N 1 2 357.410 2.700 10 0 FFAELO CC(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000119502189 508807929 /nfs/dbraw/zinc/80/79/29/508807929.db2.gz ZLZPYAFCOXTQQH-RUJXFNLJSA-N 1 2 366.465 2.873 10 0 FFAELO Cn1cc([C@@H]2CCN(C(=O)Nc3cccc(-c4[nH+]ccn4C)c3)C2)cn1 ZINC000150905365 508919216 /nfs/dbraw/zinc/91/92/16/508919216.db2.gz MBTPIFZEMRIWNM-OAHLLOKOSA-N 1 2 350.426 2.842 10 0 FFAELO Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000151153142 508968395 /nfs/dbraw/zinc/96/83/95/508968395.db2.gz PTHZZHPHLGPWQT-AWEZNQCLSA-N 1 2 352.843 2.885 10 0 FFAELO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120317991 508970824 /nfs/dbraw/zinc/97/08/24/508970824.db2.gz CZSPFZSKRUWLQY-VMPITWQZSA-N 1 2 364.449 2.887 10 0 FFAELO CCC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000155555950 509025059 /nfs/dbraw/zinc/02/50/59/509025059.db2.gz BHNDWIFKONUORV-MAUKXSAKSA-N 1 2 367.440 2.922 10 0 FFAELO CCO[C@H](C)c1nc(C[NH+]2CCC(c3ccnn3CCO)CC2)cs1 ZINC000120608117 509030875 /nfs/dbraw/zinc/03/08/75/509030875.db2.gz IHVGDMWUWMHPNC-CQSZACIVSA-N 1 2 364.515 2.809 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2C)CC1 ZINC000151688686 509067013 /nfs/dbraw/zinc/06/70/13/509067013.db2.gz UTWOCPGKLAABGO-UHFFFAOYSA-N 1 2 360.889 2.957 10 0 FFAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000120891671 509084098 /nfs/dbraw/zinc/08/40/98/509084098.db2.gz ASSRSIHWYRBJAW-HOTGVXAUSA-N 1 2 353.466 2.893 10 0 FFAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)N1CCc2ccccc2C1 ZINC000120953922 509096256 /nfs/dbraw/zinc/09/62/56/509096256.db2.gz QWUAZIPZJNJAFC-FXAWDEMLSA-N 1 2 372.415 2.657 10 0 FFAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)N1CCc2ccccc2C1 ZINC000120953922 509096258 /nfs/dbraw/zinc/09/62/58/509096258.db2.gz QWUAZIPZJNJAFC-FXAWDEMLSA-N 1 2 372.415 2.657 10 0 FFAELO Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)n1 ZINC000155994251 509107123 /nfs/dbraw/zinc/10/71/23/509107123.db2.gz LDOGJZYIFPUDQQ-AWEZNQCLSA-N 1 2 363.421 2.700 10 0 FFAELO COc1cc(C)cc(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000133056053 509110074 /nfs/dbraw/zinc/11/00/74/509110074.db2.gz GPHRLJXEUJDRRT-UHFFFAOYSA-N 1 2 374.510 2.796 10 0 FFAELO Cc1noc(-c2ccccc2)c1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000126724070 509118936 /nfs/dbraw/zinc/11/89/36/509118936.db2.gz WYQIZLYZPKWJMS-PBHICJAKSA-N 1 2 370.453 2.834 10 0 FFAELO C[C@H]1C[NH+](Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C[C@H](C)O1 ZINC000126988552 509155853 /nfs/dbraw/zinc/15/58/53/509155853.db2.gz XPPVJJKMSMZCKA-HOTGVXAUSA-N 1 2 368.905 2.660 10 0 FFAELO CCN(CC)c1ncc(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)s1 ZINC000121245616 509156328 /nfs/dbraw/zinc/15/63/28/509156328.db2.gz IAEPRAGZVKLPNA-CYBMUJFWSA-N 1 2 364.519 2.560 10 0 FFAELO Cc1noc([C@H](C)N2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)n1 ZINC000121340612 509167836 /nfs/dbraw/zinc/16/78/36/509167836.db2.gz VJIJDPPZBOTUFP-AWEZNQCLSA-N 1 2 370.432 2.582 10 0 FFAELO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3c(F)cccc3F)sc2C1 ZINC000121495687 509176832 /nfs/dbraw/zinc/17/68/32/509176832.db2.gz OQJQCCMSEMGBNP-UHFFFAOYSA-N 1 2 359.423 2.600 10 0 FFAELO CC[N@H+]1CCc2nc(NS(=O)(=O)c3c(F)cccc3F)sc2C1 ZINC000121495687 509176833 /nfs/dbraw/zinc/17/68/33/509176833.db2.gz OQJQCCMSEMGBNP-UHFFFAOYSA-N 1 2 359.423 2.600 10 0 FFAELO CN(CCCOc1ccccc1)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507445 509200002 /nfs/dbraw/zinc/20/00/02/509200002.db2.gz AVNKLPVEYAZPJC-UHFFFAOYSA-N 1 2 356.470 2.517 10 0 FFAELO O=C(c1ncoc1-c1ccccc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172742476 509206129 /nfs/dbraw/zinc/20/61/29/509206129.db2.gz QFLGLDPKSVGMHK-CYBMUJFWSA-N 1 2 361.829 2.542 10 0 FFAELO CCCCc1ccc(C(=O)CCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000172743736 509207190 /nfs/dbraw/zinc/20/71/90/509207190.db2.gz AGIQHTPBGHVACD-FQEVSTJZSA-N 1 2 372.509 2.925 10 0 FFAELO Cc1nc(-c2cccs2)ccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761093 509219420 /nfs/dbraw/zinc/21/94/20/509219420.db2.gz VMRHSIWQZSWSKX-OAHLLOKOSA-N 1 2 357.479 2.665 10 0 FFAELO CC(C)[C@H](C(=O)Nc1cccc(-c2ncn(C)n2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248375653 509280043 /nfs/dbraw/zinc/28/00/43/509280043.db2.gz XMZHHKNRAIMEKC-RVKKMQEKSA-N 1 2 371.485 2.554 10 0 FFAELO CC(C)[C@H](C(=O)Nc1cccc(-c2ncn(C)n2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248375653 509280051 /nfs/dbraw/zinc/28/00/51/509280051.db2.gz XMZHHKNRAIMEKC-RVKKMQEKSA-N 1 2 371.485 2.554 10 0 FFAELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000192005571 509291279 /nfs/dbraw/zinc/29/12/79/509291279.db2.gz JZPNIMDDHXVRLL-HNNXBMFYSA-N 1 2 364.490 2.575 10 0 FFAELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000192005571 509291282 /nfs/dbraw/zinc/29/12/82/509291282.db2.gz JZPNIMDDHXVRLL-HNNXBMFYSA-N 1 2 364.490 2.575 10 0 FFAELO O=C(c1cccs1)N1CCC[N@@H+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192022451 509302470 /nfs/dbraw/zinc/30/24/70/509302470.db2.gz CJRDYKANNHBDSL-KRWDZBQOSA-N 1 2 369.490 2.850 10 0 FFAELO O=C(c1cccs1)N1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192022451 509302476 /nfs/dbraw/zinc/30/24/76/509302476.db2.gz CJRDYKANNHBDSL-KRWDZBQOSA-N 1 2 369.490 2.850 10 0 FFAELO CCc1cnccc1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000182562961 509304768 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370.350 2.905 10 0 FFAELO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248419321 509308688 /nfs/dbraw/zinc/30/86/88/509308688.db2.gz KZUYLMULCPNZOD-UKRRQHHQSA-N 1 2 370.350 2.905 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000248630057 509402591 /nfs/dbraw/zinc/40/25/91/509402591.db2.gz GTAULIVXJNXZGV-JKSUJKDBSA-N 1 2 352.862 2.781 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000248630057 509402597 /nfs/dbraw/zinc/40/25/97/509402597.db2.gz GTAULIVXJNXZGV-JKSUJKDBSA-N 1 2 352.862 2.781 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000248644960 509412854 /nfs/dbraw/zinc/41/28/54/509412854.db2.gz QRSPJCRNPORLFJ-VQIMIIECSA-N 1 2 356.470 2.550 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000248644960 509412861 /nfs/dbraw/zinc/41/28/61/509412861.db2.gz QRSPJCRNPORLFJ-VQIMIIECSA-N 1 2 356.470 2.550 10 0 FFAELO C[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)N(C)CC(F)(F)F ZINC000192224700 509414472 /nfs/dbraw/zinc/41/44/72/509414472.db2.gz BYKRDPQIIFZTOW-QWHCGFSZSA-N 1 2 354.376 2.932 10 0 FFAELO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000189139417 509431836 /nfs/dbraw/zinc/43/18/36/509431836.db2.gz ACKXQUHRPNBMOW-OAHLLOKOSA-N 1 2 370.505 2.630 10 0 FFAELO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248720870 509450950 /nfs/dbraw/zinc/45/09/50/509450950.db2.gz LRLYNJMHMBLFJP-WOJBJXKFSA-N 1 2 370.497 2.886 10 0 FFAELO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248720870 509450956 /nfs/dbraw/zinc/45/09/56/509450956.db2.gz LRLYNJMHMBLFJP-WOJBJXKFSA-N 1 2 370.497 2.886 10 0 FFAELO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000164121770 509465196 /nfs/dbraw/zinc/46/51/96/509465196.db2.gz KVKNFHIGAMNAMI-NQIIRXRSSA-N 1 2 373.497 2.678 10 0 FFAELO O=C(Nc1c[nH]nc1-c1ccccc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000179488536 509473184 /nfs/dbraw/zinc/47/31/84/509473184.db2.gz GKFHVFMJBDMFRW-UHFFFAOYSA-N 1 2 362.437 2.821 10 0 FFAELO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000248803728 509491401 /nfs/dbraw/zinc/49/14/01/509491401.db2.gz JXIAEKNLZNSHER-OCCSQVGLSA-N 1 2 362.253 2.761 10 0 FFAELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000248803728 509491407 /nfs/dbraw/zinc/49/14/07/509491407.db2.gz JXIAEKNLZNSHER-OCCSQVGLSA-N 1 2 362.253 2.761 10 0 FFAELO O=C(Nc1ccc(N2CCCC2)nc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186037300 509493682 /nfs/dbraw/zinc/49/36/82/509493682.db2.gz RMVQDPNJVQUHNR-UHFFFAOYSA-N 1 2 366.469 2.821 10 0 FFAELO CCOCc1cc(C[N@@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)ccc1OC ZINC000179537491 509500283 /nfs/dbraw/zinc/50/02/83/509500283.db2.gz HDXIJFBKLPNKNA-FQEVSTJZSA-N 1 2 373.497 2.946 10 0 FFAELO CCOCc1cc(C[N@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)ccc1OC ZINC000179537491 509500286 /nfs/dbraw/zinc/50/02/86/509500286.db2.gz HDXIJFBKLPNKNA-FQEVSTJZSA-N 1 2 373.497 2.946 10 0 FFAELO CC(C)c1ccc(CN(C(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)C2CC2)cc1 ZINC000189335604 509526718 /nfs/dbraw/zinc/52/67/18/509526718.db2.gz OFYTWTYFDLBPRC-MRXNPFEDSA-N 1 2 357.498 2.511 10 0 FFAELO CC(C)c1ccc(CN(C(=O)C[N@H+]2CCCNC(=O)[C@H]2C)C2CC2)cc1 ZINC000189335604 509526729 /nfs/dbraw/zinc/52/67/29/509526729.db2.gz OFYTWTYFDLBPRC-MRXNPFEDSA-N 1 2 357.498 2.511 10 0 FFAELO COc1ccc(CC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000176528110 509565274 /nfs/dbraw/zinc/56/52/74/509565274.db2.gz VMTIWUNBSCGEIR-SFHVURJKSA-N 1 2 374.506 2.831 10 0 FFAELO O=C(CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000179691189 509575517 /nfs/dbraw/zinc/57/55/17/509575517.db2.gz SVFGIVAGJQWRAI-NRFANRHFSA-N 1 2 356.441 2.750 10 0 FFAELO O=C(CC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000179691189 509575523 /nfs/dbraw/zinc/57/55/23/509575523.db2.gz SVFGIVAGJQWRAI-NRFANRHFSA-N 1 2 356.441 2.750 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2O)[NH+]2CCOCC2)s1 ZINC000176565524 509586691 /nfs/dbraw/zinc/58/66/91/509586691.db2.gz UGLDSZGRAWLBFC-MRXNPFEDSA-N 1 2 360.479 2.874 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(CCC(C)C)C2CC2)nc[nH+]1 ZINC000173420340 509586834 /nfs/dbraw/zinc/58/68/34/509586834.db2.gz HJCGUZIAPNYQKP-INIZCTEOSA-N 1 2 360.506 2.707 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(CCC(C)C)C2CC2)[nH+]cn1 ZINC000173420340 509586840 /nfs/dbraw/zinc/58/68/40/509586840.db2.gz HJCGUZIAPNYQKP-INIZCTEOSA-N 1 2 360.506 2.707 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@H](C)c2cccs2)nc[nH+]1 ZINC000173424730 509590393 /nfs/dbraw/zinc/59/03/93/509590393.db2.gz NZONTRDOHCPHII-KGLIPLIRSA-N 1 2 374.514 2.951 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@H](C)c2cccs2)[nH+]cn1 ZINC000173424730 509590400 /nfs/dbraw/zinc/59/04/00/509590400.db2.gz NZONTRDOHCPHII-KGLIPLIRSA-N 1 2 374.514 2.951 10 0 FFAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC[C@H]1CCCC[C@H]1O ZINC000249074146 509592020 /nfs/dbraw/zinc/59/20/20/509592020.db2.gz KIGOCIHJZCBIOP-RDTXWAMCSA-N 1 2 365.905 2.548 10 0 FFAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC[C@H]1CCCC[C@H]1O ZINC000249074146 509592025 /nfs/dbraw/zinc/59/20/25/509592025.db2.gz KIGOCIHJZCBIOP-RDTXWAMCSA-N 1 2 365.905 2.548 10 0 FFAELO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c1O ZINC000176595979 509603083 /nfs/dbraw/zinc/60/30/83/509603083.db2.gz LZYSVDCYOVCARF-ZBFHGGJFSA-N 1 2 360.479 2.954 10 0 FFAELO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)c1O ZINC000176595979 509603093 /nfs/dbraw/zinc/60/30/93/509603093.db2.gz LZYSVDCYOVCARF-ZBFHGGJFSA-N 1 2 360.479 2.954 10 0 FFAELO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCc1nnc2n1CCCCC2 ZINC000192720406 509613296 /nfs/dbraw/zinc/61/32/96/509613296.db2.gz XUNQHBSMKMOYAK-JXMROGBWSA-N 1 2 362.437 2.520 10 0 FFAELO CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000173597692 509667514 /nfs/dbraw/zinc/66/75/14/509667514.db2.gz WKTIUROGKGACON-CQSZACIVSA-N 1 2 352.398 2.751 10 0 FFAELO CO[C@@H](CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186366237 509672049 /nfs/dbraw/zinc/67/20/49/509672049.db2.gz CDKOEBMUYPTTDZ-SFHVURJKSA-N 1 2 354.454 2.691 10 0 FFAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)N1c2ccccc2C[C@@H]1C ZINC000173626094 509681887 /nfs/dbraw/zinc/68/18/87/509681887.db2.gz DZOUECUUDWIQNN-KKUMJFAQSA-N 1 2 353.470 2.631 10 0 FFAELO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nnc2n1CCCC2 ZINC000173628199 509683919 /nfs/dbraw/zinc/68/39/19/509683919.db2.gz WMYMBJFFQXLGAO-WFASDCNBSA-N 1 2 359.861 2.724 10 0 FFAELO O=C(c1cc(-c2cccs2)n[nH]1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186403746 509692687 /nfs/dbraw/zinc/69/26/87/509692687.db2.gz MKFIAQAUNPIXHT-UHFFFAOYSA-N 1 2 353.451 2.886 10 0 FFAELO O=C(c1cnn(Cc2ccccc2)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186422153 509701972 /nfs/dbraw/zinc/70/19/72/509701972.db2.gz DHWRPEUSWWDPBZ-UHFFFAOYSA-N 1 2 361.449 2.679 10 0 FFAELO COc1ccc(CCC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1F ZINC000186432904 509705596 /nfs/dbraw/zinc/70/55/96/509705596.db2.gz KGNLBFFTLCLLRV-UHFFFAOYSA-N 1 2 357.429 2.901 10 0 FFAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)[nH]1 ZINC000173675506 509713234 /nfs/dbraw/zinc/71/32/34/509713234.db2.gz QGCYSSGNJVUUFN-IBGZPJMESA-N 1 2 365.437 2.661 10 0 FFAELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)[nH]1 ZINC000173675506 509713239 /nfs/dbraw/zinc/71/32/39/509713239.db2.gz QGCYSSGNJVUUFN-IBGZPJMESA-N 1 2 365.437 2.661 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]c3cc(F)ccc23)nc[nH+]1 ZINC000192962906 509717653 /nfs/dbraw/zinc/71/76/53/509717653.db2.gz BXFGRSRVKGLJGI-ZDUSSCGKSA-N 1 2 368.416 2.538 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]c3cc(F)ccc23)[nH+]cn1 ZINC000192962906 509717658 /nfs/dbraw/zinc/71/76/58/509717658.db2.gz BXFGRSRVKGLJGI-ZDUSSCGKSA-N 1 2 368.416 2.538 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000176896207 509750475 /nfs/dbraw/zinc/75/04/75/509750475.db2.gz GTXFGLJPAYDBBE-PWECECGKSA-N 1 2 365.474 2.599 10 0 FFAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CCO2)[nH]1 ZINC000180105520 509753922 /nfs/dbraw/zinc/75/39/22/509753922.db2.gz ALUPADCJWATLKG-SFHVURJKSA-N 1 2 353.401 2.888 10 0 FFAELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CCO2)[nH]1 ZINC000180105520 509753928 /nfs/dbraw/zinc/75/39/28/509753928.db2.gz ALUPADCJWATLKG-SFHVURJKSA-N 1 2 353.401 2.888 10 0 FFAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000176901643 509754055 /nfs/dbraw/zinc/75/40/55/509754055.db2.gz XQNKLCLJYXOXMX-UHFFFAOYSA-N 1 2 366.830 2.721 10 0 FFAELO Cc1nnc([C@@H]2C[N@H+](Cc3cc(C)c(OC(F)F)c(C)c3)CCO2)[nH]1 ZINC000180108268 509756422 /nfs/dbraw/zinc/75/64/22/509756422.db2.gz NCUIGSJZBGTPAD-AWEZNQCLSA-N 1 2 352.385 2.905 10 0 FFAELO Cc1nnc([C@@H]2C[N@@H+](Cc3cc(C)c(OC(F)F)c(C)c3)CCO2)[nH]1 ZINC000180108268 509756430 /nfs/dbraw/zinc/75/64/30/509756430.db2.gz NCUIGSJZBGTPAD-AWEZNQCLSA-N 1 2 352.385 2.905 10 0 FFAELO COCCc1nsc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000176924123 509767756 /nfs/dbraw/zinc/76/77/56/509767756.db2.gz SVDLIXCEDRMVKT-STQMWFEESA-N 1 2 368.528 2.662 10 0 FFAELO COCCc1nsc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)n1 ZINC000176924123 509767762 /nfs/dbraw/zinc/76/77/62/509767762.db2.gz SVDLIXCEDRMVKT-STQMWFEESA-N 1 2 368.528 2.662 10 0 FFAELO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189836327 509779544 /nfs/dbraw/zinc/77/95/44/509779544.db2.gz POJZNDFPAIYOSC-UHFFFAOYSA-N 1 2 360.417 2.976 10 0 FFAELO CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173793177 509780790 /nfs/dbraw/zinc/78/07/90/509780790.db2.gz WYQBCQAINZOZFP-GOSISDBHSA-N 1 2 374.485 2.610 10 0 FFAELO C[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000173814308 509793652 /nfs/dbraw/zinc/79/36/52/509793652.db2.gz ASQXTLHATFJHJZ-SWLSCSKDSA-N 1 2 363.508 2.664 10 0 FFAELO C[C@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173834075 509806211 /nfs/dbraw/zinc/80/62/11/509806211.db2.gz XUEKUBQYBHEEFE-WMLDXEAASA-N 1 2 350.890 2.797 10 0 FFAELO C[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173838236 509808642 /nfs/dbraw/zinc/80/86/42/509808642.db2.gz KILDQFLIJHTQJB-SWLSCSKDSA-N 1 2 373.280 2.551 10 0 FFAELO Cc1nc(-c2ccccc2)ccc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173854675 509816604 /nfs/dbraw/zinc/81/66/04/509816604.db2.gz KSWQUJQLEPTNAW-IIBYNOLFSA-N 1 2 365.477 2.850 10 0 FFAELO CC(C)Oc1ccc(Cl)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173865285 509823976 /nfs/dbraw/zinc/82/39/76/509823976.db2.gz KTMVFIDPJZDPLI-YOEHRIQHSA-N 1 2 366.889 2.920 10 0 FFAELO Cc1cnc(CNC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)s1 ZINC000173875602 509829449 /nfs/dbraw/zinc/82/94/49/509829449.db2.gz JAYHJFNFQGGNFR-UHFFFAOYSA-N 1 2 365.528 2.634 10 0 FFAELO Cc1cnc(CNC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)s1 ZINC000173875602 509829453 /nfs/dbraw/zinc/82/94/53/509829453.db2.gz JAYHJFNFQGGNFR-UHFFFAOYSA-N 1 2 365.528 2.634 10 0 FFAELO CCn1cnnc1C1CC[NH+](Cc2nc([C@@H](C)OCC(C)C)no2)CC1 ZINC000173889007 509835987 /nfs/dbraw/zinc/83/59/87/509835987.db2.gz RFOUWPCIOLHKHA-CQSZACIVSA-N 1 2 362.478 2.794 10 0 FFAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000177046015 509837730 /nfs/dbraw/zinc/83/77/30/509837730.db2.gz FZITXGKCVHRSBG-HIFRSBDPSA-N 1 2 357.878 2.880 10 0 FFAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000177046015 509837735 /nfs/dbraw/zinc/83/77/35/509837735.db2.gz FZITXGKCVHRSBG-HIFRSBDPSA-N 1 2 357.878 2.880 10 0 FFAELO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)(C)c1ccccc1 ZINC000173911696 509849658 /nfs/dbraw/zinc/84/96/58/509849658.db2.gz VNUTXRGSJDOBGT-RBUKOAKNSA-N 1 2 359.514 2.859 10 0 FFAELO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173913185 509850131 /nfs/dbraw/zinc/85/01/31/509850131.db2.gz VBASEAYKXXSNBS-DOTOQJQBSA-N 1 2 354.454 2.698 10 0 FFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1cc(F)cc2c1OCOC2 ZINC000170925995 509850561 /nfs/dbraw/zinc/85/05/61/509850561.db2.gz HFUXBPGLIIDXLN-UHFFFAOYSA-N 1 2 354.403 2.585 10 0 FFAELO Cc1sc(=O)n(CCC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000173921602 509854325 /nfs/dbraw/zinc/85/43/25/509854325.db2.gz STEORXUEPRLJNE-CYBMUJFWSA-N 1 2 370.478 2.980 10 0 FFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4ncsc4c3)CC2)cn1 ZINC000170948460 509865823 /nfs/dbraw/zinc/86/58/23/509865823.db2.gz YEZKCIXQHPNRRW-UHFFFAOYSA-N 1 2 369.494 2.861 10 0 FFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc4ncsc4c3)CC2)cn1 ZINC000170948460 509865829 /nfs/dbraw/zinc/86/58/29/509865829.db2.gz YEZKCIXQHPNRRW-UHFFFAOYSA-N 1 2 369.494 2.861 10 0 FFAELO C[C@@H](NC(=O)CN1CCCCCCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173941062 509866843 /nfs/dbraw/zinc/86/68/43/509866843.db2.gz VBQNTRUTKRNYMM-MRXNPFEDSA-N 1 2 354.454 2.842 10 0 FFAELO CCc1ccnc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)c1 ZINC000180324060 509867761 /nfs/dbraw/zinc/86/77/61/509867761.db2.gz FJYPWOCZRYBXIG-RHSMWYFYSA-N 1 2 359.495 2.897 10 0 FFAELO CCc1ccnc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c1 ZINC000180324060 509867766 /nfs/dbraw/zinc/86/77/66/509867766.db2.gz FJYPWOCZRYBXIG-RHSMWYFYSA-N 1 2 359.495 2.897 10 0 FFAELO COc1cccc(-c2nc(CN3CC[C@H]([NH+]4CCOCC4)C3)cs2)c1 ZINC000173946340 509867978 /nfs/dbraw/zinc/86/79/78/509867978.db2.gz MCBJGBYETQZNPE-KRWDZBQOSA-N 1 2 359.495 2.725 10 0 FFAELO CC(C)c1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000183595964 509877900 /nfs/dbraw/zinc/87/79/00/509877900.db2.gz WKPYJCSODYCMHL-HNNXBMFYSA-N 1 2 370.428 2.678 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000245200224 509878748 /nfs/dbraw/zinc/87/87/48/509878748.db2.gz JARIYGAGILCZCB-UXHICEINSA-N 1 2 373.541 2.923 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000245200224 509878754 /nfs/dbraw/zinc/87/87/54/509878754.db2.gz JARIYGAGILCZCB-UXHICEINSA-N 1 2 373.541 2.923 10 0 FFAELO O=C(c1cc(Cc2ccccc2)ccc1O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173979065 509885444 /nfs/dbraw/zinc/88/54/44/509885444.db2.gz UUIZIEKCDVKRHL-IBGZPJMESA-N 1 2 366.461 2.530 10 0 FFAELO C[C@@H]1CN(C(=O)c2ccc3nc(Cl)ccc3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173980110 509887533 /nfs/dbraw/zinc/88/75/33/509887533.db2.gz RUDFAUGGXQYLNP-DYVFJYSZSA-N 1 2 359.857 2.681 10 0 FFAELO CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[C@@H]1c1ccccc1 ZINC000245443669 509938613 /nfs/dbraw/zinc/93/86/13/509938613.db2.gz XJTHFUZYEPDPRV-NSHGMRRFSA-N 1 2 359.514 2.932 10 0 FFAELO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1C ZINC000245453642 509944435 /nfs/dbraw/zinc/94/44/35/509944435.db2.gz RHFYWQRVRPFSOH-ZFWWWQNUSA-N 1 2 358.442 2.560 10 0 FFAELO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H]2c2cnn(C)c2)c1C ZINC000245453642 509944440 /nfs/dbraw/zinc/94/44/40/509944440.db2.gz RHFYWQRVRPFSOH-ZFWWWQNUSA-N 1 2 358.442 2.560 10 0 FFAELO CCn1cc[nH+]c1C[S@](=O)Cc1ccc(I)cc1 ZINC000180490530 509954129 /nfs/dbraw/zinc/95/41/29/509954129.db2.gz FBNIMIXVLBJCAA-GOSISDBHSA-N 1 2 374.247 2.957 10 0 FFAELO CCO[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCOCC2 ZINC000187028930 510015227 /nfs/dbraw/zinc/01/52/27/510015227.db2.gz IUHJTXWNSNZJQP-ZWKOTPCHSA-N 1 2 355.438 2.576 10 0 FFAELO Cc1ccccc1Cc1noc(CS(=O)(=O)Cc2[nH+]ccn2C(C)C)n1 ZINC000177423879 510049996 /nfs/dbraw/zinc/04/99/96/510049996.db2.gz FVNBSJVNMMEANM-UHFFFAOYSA-N 1 2 374.466 2.861 10 0 FFAELO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177448243 510065629 /nfs/dbraw/zinc/06/56/29/510065629.db2.gz PLKXSTCIJYKYLK-QFBILLFUSA-N 1 2 371.460 2.723 10 0 FFAELO COc1ccc(CCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC ZINC000177453487 510068740 /nfs/dbraw/zinc/06/87/40/510068740.db2.gz VLEYCXZDDXICLH-QGZVFWFLSA-N 1 2 372.469 2.707 10 0 FFAELO O=C(NC[C@H]1COC2(CCCCCC2)O1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180718526 510069997 /nfs/dbraw/zinc/06/99/97/510069997.db2.gz AEXXYFFMFOBIMI-SJORKVTESA-N 1 2 362.474 2.523 10 0 FFAELO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C)nc3Cl)sc2C1 ZINC000193810455 510081402 /nfs/dbraw/zinc/08/14/02/510081402.db2.gz STKVQQLMTXCICV-UHFFFAOYSA-N 1 2 372.903 2.679 10 0 FFAELO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C)nc3Cl)sc2C1 ZINC000193810455 510081410 /nfs/dbraw/zinc/08/14/10/510081410.db2.gz STKVQQLMTXCICV-UHFFFAOYSA-N 1 2 372.903 2.679 10 0 FFAELO CN1CC[C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c2ccccc21 ZINC000171350617 510099592 /nfs/dbraw/zinc/09/95/92/510099592.db2.gz UHSCEICOUGYLON-MRXNPFEDSA-N 1 2 353.470 2.853 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2CO)[C@H]1c1ccc(F)c(F)c1 ZINC000245726761 510108856 /nfs/dbraw/zinc/10/88/56/510108856.db2.gz BRYBNCURYRCJDG-NKGKWGDASA-N 1 2 367.440 2.560 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2CO)[C@H]1c1ccc(F)c(F)c1 ZINC000245726761 510108861 /nfs/dbraw/zinc/10/88/61/510108861.db2.gz BRYBNCURYRCJDG-NKGKWGDASA-N 1 2 367.440 2.560 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3cnn(CC4CC4)c3)CC2)cs1 ZINC000174478445 510134532 /nfs/dbraw/zinc/13/45/32/510134532.db2.gz UZYLZKWGCKIBFF-UHFFFAOYSA-N 1 2 374.514 2.798 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3cnn(CC4CC4)c3)CC2)cs1 ZINC000174478445 510134537 /nfs/dbraw/zinc/13/45/37/510134537.db2.gz UZYLZKWGCKIBFF-UHFFFAOYSA-N 1 2 374.514 2.798 10 0 FFAELO CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171411143 510142386 /nfs/dbraw/zinc/14/23/86/510142386.db2.gz LBKLWUBIMGLQCU-HXUWFJFHSA-N 1 2 370.497 2.876 10 0 FFAELO CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171411143 510142392 /nfs/dbraw/zinc/14/23/92/510142392.db2.gz LBKLWUBIMGLQCU-HXUWFJFHSA-N 1 2 370.497 2.876 10 0 FFAELO CNC(=O)Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)cs1 ZINC000177594969 510151457 /nfs/dbraw/zinc/15/14/57/510151457.db2.gz GQWSEDHQOPWFOI-INIZCTEOSA-N 1 2 359.495 2.784 10 0 FFAELO CNC(=O)Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)OCC2(C)C)cs1 ZINC000177594969 510151462 /nfs/dbraw/zinc/15/14/62/510151462.db2.gz GQWSEDHQOPWFOI-INIZCTEOSA-N 1 2 359.495 2.784 10 0 FFAELO CCC1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCCCC1 ZINC000184172493 510172729 /nfs/dbraw/zinc/17/27/29/510172729.db2.gz LITBSCLBFVLXJC-LJQANCHMSA-N 1 2 374.525 2.931 10 0 FFAELO Cn1cc([C@H]2CCCN2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000171466286 510176578 /nfs/dbraw/zinc/17/65/78/510176578.db2.gz STLMATZUVLABOT-QGZVFWFLSA-N 1 2 368.416 2.792 10 0 FFAELO C[C@@H](C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)C1CCOCC1 ZINC000245902787 510197848 /nfs/dbraw/zinc/19/78/48/510197848.db2.gz LQGJSGBVTPSFOW-INMHGKMJSA-N 1 2 366.527 2.689 10 0 FFAELO C[C@@H](C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)C1CCOCC1 ZINC000245902787 510197854 /nfs/dbraw/zinc/19/78/54/510197854.db2.gz LQGJSGBVTPSFOW-INMHGKMJSA-N 1 2 366.527 2.689 10 0 FFAELO CCOc1ccc(-c2nc(CN3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)co2)cc1 ZINC000245943920 510221489 /nfs/dbraw/zinc/22/14/89/510221489.db2.gz NDQKBOSEYODEDG-UZLBHIALSA-N 1 2 371.481 2.893 10 0 FFAELO C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2NC1=O ZINC000177755209 510235128 /nfs/dbraw/zinc/23/51/28/510235128.db2.gz XDVXFQTUQSYLTJ-GXTWGEPZSA-N 1 2 356.451 2.621 10 0 FFAELO COc1cc(CCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc(OC)c1OC ZINC000177766371 510240608 /nfs/dbraw/zinc/24/06/08/510240608.db2.gz HEIGEALTNIQXNF-MRXNPFEDSA-N 1 2 373.453 2.533 10 0 FFAELO CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177771124 510242686 /nfs/dbraw/zinc/24/26/86/510242686.db2.gz WODRPVNOMCVCKN-HNNXBMFYSA-N 1 2 373.457 2.533 10 0 FFAELO CC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246002380 510245972 /nfs/dbraw/zinc/24/59/72/510245972.db2.gz JHJDIIWQSNSARN-KNXALSJPSA-N 1 2 357.857 2.637 10 0 FFAELO CC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)CO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246002380 510245975 /nfs/dbraw/zinc/24/59/75/510245975.db2.gz JHJDIIWQSNSARN-KNXALSJPSA-N 1 2 357.857 2.637 10 0 FFAELO CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177808260 510266044 /nfs/dbraw/zinc/26/60/44/510266044.db2.gz QGWHKRCFKNPGOR-CQSZACIVSA-N 1 2 350.463 2.568 10 0 FFAELO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)[nH]1 ZINC000190660959 510269641 /nfs/dbraw/zinc/26/96/41/510269641.db2.gz IZTFOPBHXDGQHL-LSDHHAIUSA-N 1 2 355.486 2.812 10 0 FFAELO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)n1 ZINC000190660959 510269650 /nfs/dbraw/zinc/26/96/50/510269650.db2.gz IZTFOPBHXDGQHL-LSDHHAIUSA-N 1 2 355.486 2.812 10 0 FFAELO CCc1nc(C2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)n[nH]1 ZINC000190660959 510269658 /nfs/dbraw/zinc/26/96/58/510269658.db2.gz IZTFOPBHXDGQHL-LSDHHAIUSA-N 1 2 355.486 2.812 10 0 FFAELO CO[C@](C)(C(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1F ZINC000190667267 510272864 /nfs/dbraw/zinc/27/28/64/510272864.db2.gz SVOIFQKEHFVJGI-FQEVSTJZSA-N 1 2 357.429 2.821 10 0 FFAELO COC(=O)[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000171670163 510298014 /nfs/dbraw/zinc/29/80/14/510298014.db2.gz UQVZXVNZLCPLMN-LLVKDONJSA-N 1 2 373.434 2.630 10 0 FFAELO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000171670163 510298018 /nfs/dbraw/zinc/29/80/18/510298018.db2.gz UQVZXVNZLCPLMN-LLVKDONJSA-N 1 2 373.434 2.630 10 0 FFAELO COc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1Cc1ccccc1 ZINC000171704832 510318605 /nfs/dbraw/zinc/31/86/05/510318605.db2.gz FUOBGQDKJWEGSH-IBGZPJMESA-N 1 2 369.465 2.738 10 0 FFAELO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1Cc1ccccc1 ZINC000171704832 510318611 /nfs/dbraw/zinc/31/86/11/510318611.db2.gz FUOBGQDKJWEGSH-IBGZPJMESA-N 1 2 369.465 2.738 10 0 FFAELO C[C@H](CNc1cc(N2CCC[C@H]2CO)nc[nH+]1)COCc1ccccc1 ZINC000246217003 510369175 /nfs/dbraw/zinc/36/91/75/510369175.db2.gz XTMVYBKCSUITPW-AEFFLSMTSA-N 1 2 356.470 2.703 10 0 FFAELO C[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)COCc1ccccc1 ZINC000246217003 510369182 /nfs/dbraw/zinc/36/91/82/510369182.db2.gz XTMVYBKCSUITPW-AEFFLSMTSA-N 1 2 356.470 2.703 10 0 FFAELO COc1cccc(CN2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)n1 ZINC000171828791 510396919 /nfs/dbraw/zinc/39/69/19/510396919.db2.gz BSBDPEOEVZHHFG-UHFFFAOYSA-N 1 2 363.465 2.594 10 0 FFAELO COc1cccc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)n1 ZINC000171828791 510396925 /nfs/dbraw/zinc/39/69/25/510396925.db2.gz BSBDPEOEVZHHFG-UHFFFAOYSA-N 1 2 363.465 2.594 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccncc2)[NH+]2CCOCC2)s1 ZINC000174978887 510416813 /nfs/dbraw/zinc/41/68/13/510416813.db2.gz YIRCMBJQPNNSBI-QGZVFWFLSA-N 1 2 374.510 2.666 10 0 FFAELO CC[N@@H+]1CC[C@H](NC(=O)NCCCCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194551672 510421013 /nfs/dbraw/zinc/42/10/13/510421013.db2.gz ZZFSVMZSIJLWFB-HOTGVXAUSA-N 1 2 357.857 2.686 10 0 FFAELO CC[N@H+]1CC[C@H](NC(=O)NCCCCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194551672 510421018 /nfs/dbraw/zinc/42/10/18/510421018.db2.gz ZZFSVMZSIJLWFB-HOTGVXAUSA-N 1 2 357.857 2.686 10 0 FFAELO Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246328903 510429486 /nfs/dbraw/zinc/42/94/86/510429486.db2.gz DNPOEZKCIDUVFO-MJGOQNOKSA-N 1 2 359.514 2.709 10 0 FFAELO C[C@H](CNC(=O)N(CCC(F)(F)F)Cc1ccccc1)[NH+]1CCOCC1 ZINC000190978876 510446247 /nfs/dbraw/zinc/44/62/47/510446247.db2.gz JRIQAVCTYZLKIB-OAHLLOKOSA-N 1 2 373.419 2.871 10 0 FFAELO C[C@H]1CN(Cc2nnc(-c3ccccc3Cl)o2)C[C@H]1[NH+]1CCOCC1 ZINC000246376156 510454533 /nfs/dbraw/zinc/45/45/33/510454533.db2.gz HSRRFWUHDGBWRT-XJKSGUPXSA-N 1 2 362.861 2.543 10 0 FFAELO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000171929169 510456506 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Cc1cnn(CCCCCN2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000111227735 508079184 /nfs/dbraw/zinc/07/91/84/508079184.db2.gz PDKJYUDMDKHCCF-NRFANRHFSA-N 1 2 356.514 2.713 10 0 FFAELO CCn1cnnc1C1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000111229618 508079977 /nfs/dbraw/zinc/07/99/77/508079977.db2.gz VGWJQTJYUGHJNJ-KRWDZBQOSA-N 1 2 373.888 2.936 10 0 FFAELO CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)[nH]1 ZINC000092585949 508084709 /nfs/dbraw/zinc/08/47/09/508084709.db2.gz IPVPDKROVVBNAU-HNNXBMFYSA-N 1 2 364.490 2.596 10 0 FFAELO CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)[nH]1 ZINC000092585949 508084710 /nfs/dbraw/zinc/08/47/10/508084710.db2.gz IPVPDKROVVBNAU-HNNXBMFYSA-N 1 2 364.490 2.596 10 0 FFAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081019012 508126270 /nfs/dbraw/zinc/12/62/70/508126270.db2.gz YTUCTSXXWQCSRT-ZWKOTPCHSA-N 1 2 367.493 2.776 10 0 FFAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000081019012 508126272 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10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)COCCOc1ccccc1)C2 ZINC000112666042 508207154 /nfs/dbraw/zinc/20/71/54/508207154.db2.gz FWQINNASQARZIK-UHFFFAOYSA-N 1 2 357.454 2.524 10 0 FFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000083034845 508234414 /nfs/dbraw/zinc/23/44/14/508234414.db2.gz VNZYCRCRBLIEIT-RUZDIDTESA-N 1 2 359.495 2.978 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000101565531 508247033 /nfs/dbraw/zinc/24/70/33/508247033.db2.gz LNHQRAKUIJIAAJ-CYBMUJFWSA-N 1 2 355.841 2.798 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000101565531 508247035 /nfs/dbraw/zinc/24/70/35/508247035.db2.gz LNHQRAKUIJIAAJ-CYBMUJFWSA-N 1 2 355.841 2.798 10 0 FFAELO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000101922411 508261174 /nfs/dbraw/zinc/26/11/74/508261174.db2.gz BYJXWJIWNISMFR-SFHVURJKSA-N 1 2 370.428 2.969 10 0 FFAELO Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000101922411 508261176 /nfs/dbraw/zinc/26/11/76/508261176.db2.gz BYJXWJIWNISMFR-SFHVURJKSA-N 1 2 370.428 2.969 10 0 FFAELO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c(C)c1 ZINC000114201107 508298721 /nfs/dbraw/zinc/29/87/21/508298721.db2.gz GFJOFVYLSAYWHT-KRWDZBQOSA-N 1 2 355.442 2.902 10 0 FFAELO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c(C)c1 ZINC000114201107 508298724 /nfs/dbraw/zinc/29/87/24/508298724.db2.gz GFJOFVYLSAYWHT-KRWDZBQOSA-N 1 2 355.442 2.902 10 0 FFAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000077365505 508306398 /nfs/dbraw/zinc/30/63/98/508306398.db2.gz BMRXXODGEZSWOM-JFIYKMOQSA-N 1 2 374.481 2.621 10 0 FFAELO CN(c1cccnn1)C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000114719464 508341129 /nfs/dbraw/zinc/34/11/29/508341129.db2.gz PQNSSESVHYMONE-UHFFFAOYSA-N 1 2 350.426 2.627 10 0 FFAELO CCn1cnnc1C1CC[NH+](Cc2csc(N(C(C)=O)C3CC3)n2)CC1 ZINC000114720609 508341531 /nfs/dbraw/zinc/34/15/31/508341531.db2.gz OUQMIRWLYJVZJX-UHFFFAOYSA-N 1 2 374.514 2.649 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC000115389020 508390524 /nfs/dbraw/zinc/39/05/24/508390524.db2.gz AWMHNLJLTDERIB-UHFFFAOYSA-N 1 2 370.472 2.552 10 0 FFAELO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000106095113 508393014 /nfs/dbraw/zinc/39/30/14/508393014.db2.gz FAZBVQWZPKALQH-CVEARBPZSA-N 1 2 358.486 2.952 10 0 FFAELO FC(F)(F)COCCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141051 508396138 /nfs/dbraw/zinc/39/61/38/508396138.db2.gz HFUIVIIXABDQNM-UHFFFAOYSA-N 1 2 368.403 2.569 10 0 FFAELO FC(F)(F)COCC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141051 508396140 /nfs/dbraw/zinc/39/61/40/508396140.db2.gz HFUIVIIXABDQNM-UHFFFAOYSA-N 1 2 368.403 2.569 10 0 FFAELO O[C@H](COc1ccccc1)CN1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000106204469 508398021 /nfs/dbraw/zinc/39/80/21/508398021.db2.gz SRPKFXXHNJQLKC-IBGZPJMESA-N 1 2 374.912 2.940 10 0 FFAELO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(Cc3nccn3C)CC2)c1C ZINC000106441562 508400863 /nfs/dbraw/zinc/40/08/63/508400863.db2.gz OKCXKBJWKYJLFP-UHFFFAOYSA-N 1 2 354.498 2.866 10 0 FFAELO OC[C@H]1CCCN1c1cc(N[C@H]2CCCN(c3ccccc3)C2)[nH+]cn1 ZINC000115518613 508405233 /nfs/dbraw/zinc/40/52/33/508405233.db2.gz JZTDVYQNXBSCEC-FUHWJXTLSA-N 1 2 353.470 2.519 10 0 FFAELO OC[C@H]1CCCN1c1cc(N[C@H]2CCCN(c3ccccc3)C2)nc[nH+]1 ZINC000115518613 508405236 /nfs/dbraw/zinc/40/52/36/508405236.db2.gz JZTDVYQNXBSCEC-FUHWJXTLSA-N 1 2 353.470 2.519 10 0 FFAELO c1ccc(CCc2noc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)n2)cc1 ZINC000152306898 508420340 /nfs/dbraw/zinc/42/03/40/508420340.db2.gz BKDNDCYVIMEQGR-GOSISDBHSA-N 1 2 350.422 2.903 10 0 FFAELO c1ccc(CCc2noc(C[N@H+]3CC[C@@H](Oc4cccnc4)C3)n2)cc1 ZINC000152306898 508420345 /nfs/dbraw/zinc/42/03/45/508420345.db2.gz BKDNDCYVIMEQGR-GOSISDBHSA-N 1 2 350.422 2.903 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCC1(C2CC2)CC1 ZINC000152351106 508429724 /nfs/dbraw/zinc/42/97/24/508429724.db2.gz UCBCEVFNPQNWKK-MRXNPFEDSA-N 1 2 363.527 2.953 10 0 FFAELO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000127391986 508443333 /nfs/dbraw/zinc/44/33/33/508443333.db2.gz VLOXHBRPJVZAPN-INIZCTEOSA-N 1 2 363.469 2.719 10 0 FFAELO C[C@@H]1CN(C(=O)[C@H](OC(C)(C)C)c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000156790332 508477628 /nfs/dbraw/zinc/47/76/28/508477628.db2.gz LKXCGIJUENRZHG-BHIYHBOVSA-N 1 2 360.498 2.722 10 0 FFAELO O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000134283719 508516429 /nfs/dbraw/zinc/51/64/29/508516429.db2.gz TZMMSVNHXHLZEF-IBGZPJMESA-N 1 2 371.868 2.949 10 0 FFAELO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1O ZINC000128116333 508549679 /nfs/dbraw/zinc/54/96/79/508549679.db2.gz OQNOCJNOLYBIMM-NSHDSACASA-N 1 2 373.280 2.930 10 0 FFAELO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c(C)c1 ZINC000117310875 508592948 /nfs/dbraw/zinc/59/29/48/508592948.db2.gz GPUPHPOCWFCTDS-LJQANCHMSA-N 1 2 368.477 2.501 10 0 FFAELO CCc1cc(C(=O)N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)oc1CC ZINC000122995477 508620208 /nfs/dbraw/zinc/62/02/08/508620208.db2.gz VRTYTDUSOPDQLU-UHFFFAOYSA-N 1 2 358.486 2.969 10 0 FFAELO CCc1cc(C(=O)N2CCC[N@H+](Cc3cnn(CC)c3)CC2)oc1CC ZINC000122995477 508620213 /nfs/dbraw/zinc/62/02/13/508620213.db2.gz VRTYTDUSOPDQLU-UHFFFAOYSA-N 1 2 358.486 2.969 10 0 FFAELO CC(C)(C)c1nc(CCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cs1 ZINC000123229147 508655456 /nfs/dbraw/zinc/65/54/56/508655456.db2.gz ZDALVIRPKHDRGQ-AWEZNQCLSA-N 1 2 361.515 2.846 10 0 FFAELO CC(C)(C)c1nc(CCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cs1 ZINC000123229147 508655461 /nfs/dbraw/zinc/65/54/61/508655461.db2.gz ZDALVIRPKHDRGQ-AWEZNQCLSA-N 1 2 361.515 2.846 10 0 FFAELO CNc1c(Cl)ncnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000136042377 508666583 /nfs/dbraw/zinc/66/65/83/508666583.db2.gz BLALHFDCLWAYRX-LBPRGKRZSA-N 1 2 367.906 2.743 10 0 FFAELO Cc1ccc(Br)c(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000129415879 508723998 /nfs/dbraw/zinc/72/39/98/508723998.db2.gz DFULBFNCWLBHFM-CYBMUJFWSA-N 1 2 368.275 2.696 10 0 FFAELO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000136943605 508726907 /nfs/dbraw/zinc/72/69/07/508726907.db2.gz HCIZCLPMZFCCSU-GOSISDBHSA-N 1 2 359.426 2.521 10 0 FFAELO C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@H]1n1cc[nH+]c1 ZINC000123748850 508732621 /nfs/dbraw/zinc/73/26/21/508732621.db2.gz JKTUUFXHPGVQJS-QFBILLFUSA-N 1 2 366.465 2.729 10 0 FFAELO COc1cccc(COC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000158801280 508754395 /nfs/dbraw/zinc/75/43/95/508754395.db2.gz WVLPXOLPDMKAMH-FXAWDEMLSA-N 1 2 361.438 2.548 10 0 FFAELO COc1cccc(COC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000158801280 508754397 /nfs/dbraw/zinc/75/43/97/508754397.db2.gz WVLPXOLPDMKAMH-FXAWDEMLSA-N 1 2 361.438 2.548 10 0 FFAELO C[N@@H+](Cc1cscn1)C[C@H](O)COc1cccc(Br)c1 ZINC000138834349 508779397 /nfs/dbraw/zinc/77/93/97/508779397.db2.gz UEFPPLPLTHSQFA-ZDUSSCGKSA-N 1 2 357.273 2.777 10 0 FFAELO C[N@H+](Cc1cscn1)C[C@H](O)COc1cccc(Br)c1 ZINC000138834349 508779402 /nfs/dbraw/zinc/77/94/02/508779402.db2.gz UEFPPLPLTHSQFA-ZDUSSCGKSA-N 1 2 357.273 2.777 10 0 FFAELO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000154616092 508820209 /nfs/dbraw/zinc/82/02/09/508820209.db2.gz SCHRMGHLKIPSFR-LIRRHRJNSA-N 1 2 353.422 2.765 10 0 FFAELO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000154616092 508820211 /nfs/dbraw/zinc/82/02/11/508820211.db2.gz SCHRMGHLKIPSFR-LIRRHRJNSA-N 1 2 353.422 2.765 10 0 FFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(F)cc3F)CC2)cn1 ZINC000130924627 508865775 /nfs/dbraw/zinc/86/57/75/508865775.db2.gz RMOSJIJUSCGBLN-UHFFFAOYSA-N 1 2 366.387 2.668 10 0 FFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cc(F)c(F)cc3F)CC2)cn1 ZINC000130924627 508865778 /nfs/dbraw/zinc/86/57/78/508865778.db2.gz RMOSJIJUSCGBLN-UHFFFAOYSA-N 1 2 366.387 2.668 10 0 FFAELO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)cc1 ZINC000124848897 508894336 /nfs/dbraw/zinc/89/43/36/508894336.db2.gz DPCJGMAIZQQWSH-HXUWFJFHSA-N 1 2 368.433 2.742 10 0 FFAELO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)cc1 ZINC000124848897 508894340 /nfs/dbraw/zinc/89/43/40/508894340.db2.gz DPCJGMAIZQQWSH-HXUWFJFHSA-N 1 2 368.433 2.742 10 0 FFAELO COC(=O)c1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)cc1F ZINC000119993517 508906138 /nfs/dbraw/zinc/90/61/38/508906138.db2.gz SWFXPAZSGPMQHQ-LLVKDONJSA-N 1 2 364.352 2.644 10 0 FFAELO C[C@@H]1CN(Cc2coc(-c3c(F)cccc3F)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000155253711 508958967 /nfs/dbraw/zinc/95/89/67/508958967.db2.gz HLGCHAHRIHFWPI-DYVFJYSZSA-N 1 2 363.408 2.772 10 0 FFAELO Clc1cc(Cl)cc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000120476892 509005140 /nfs/dbraw/zinc/00/51/40/509005140.db2.gz MAHNGOYHIWEMFW-UHFFFAOYSA-N 1 2 363.252 2.753 10 0 FFAELO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3nncn3CC)C2)n1 ZINC000125925370 509045778 /nfs/dbraw/zinc/04/57/78/509045778.db2.gz BKLZVQRBMDJHKI-CHWSQXEVSA-N 1 2 350.492 2.875 10 0 FFAELO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](c3nncn3CC)C2)n1 ZINC000125925370 509045781 /nfs/dbraw/zinc/04/57/81/509045781.db2.gz BKLZVQRBMDJHKI-CHWSQXEVSA-N 1 2 350.492 2.875 10 0 FFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)nc3C)CC2)cn1 ZINC000126710487 509117050 /nfs/dbraw/zinc/11/70/50/509117050.db2.gz QVERTQAOODTFMU-UHFFFAOYSA-N 1 2 361.877 2.608 10 0 FFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)nc3C)CC2)cn1 ZINC000126710487 509117054 /nfs/dbraw/zinc/11/70/54/509117054.db2.gz QVERTQAOODTFMU-UHFFFAOYSA-N 1 2 361.877 2.608 10 0 FFAELO CCc1noc([C@@H](C)N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)n1 ZINC000152053151 509137245 /nfs/dbraw/zinc/13/72/45/509137245.db2.gz AHYSCGPOFFESDN-CYBMUJFWSA-N 1 2 350.413 2.832 10 0 FFAELO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@@H](C)[NH+]3CCOCC3)c2)n1 ZINC000121219433 509151839 /nfs/dbraw/zinc/15/18/39/509151839.db2.gz WJGDLFRZJBRXST-OAHLLOKOSA-N 1 2 358.442 2.801 10 0 FFAELO Cc1noc([C@H](C)N2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)n1 ZINC000121294471 509163783 /nfs/dbraw/zinc/16/37/83/509163783.db2.gz BBEQZJJNPKOKQL-ZDUSSCGKSA-N 1 2 370.432 2.786 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cnc(C(F)(F)F)nc1)C2 ZINC000127084792 509165442 /nfs/dbraw/zinc/16/54/42/509165442.db2.gz CEQOFCRIGJGXRY-UHFFFAOYSA-N 1 2 353.348 2.551 10 0 FFAELO CCCn1nc(C)c(C[NH+]2CCN([C@@H](C)c3nc(CC)no3)CC2)c1C ZINC000121355010 509169134 /nfs/dbraw/zinc/16/91/34/509169134.db2.gz VCIITRBNEDCSRL-INIZCTEOSA-N 1 2 360.506 2.734 10 0 FFAELO CCc1nn(C)c(Cl)c1C[N@H+]1CCCN(Cc2cnn(CC)c2)CC1 ZINC000121610085 509179407 /nfs/dbraw/zinc/17/94/07/509179407.db2.gz LNSCQNULWCPCPQ-UHFFFAOYSA-N 1 2 364.925 2.560 10 0 FFAELO CCc1nn(C)c(Cl)c1C[N@@H+]1CCCN(Cc2cnn(CC)c2)CC1 ZINC000121610085 509179408 /nfs/dbraw/zinc/17/94/08/509179408.db2.gz LNSCQNULWCPCPQ-UHFFFAOYSA-N 1 2 364.925 2.560 10 0 FFAELO Cc1cccc2c1OCC[C@@H]2NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000188630098 509182525 /nfs/dbraw/zinc/18/25/25/509182525.db2.gz XTTHCKIZEJJMLW-IBGZPJMESA-N 1 2 366.465 2.741 10 0 FFAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)NCCc1nc2ccccc2s1 ZINC000195505939 509199154 /nfs/dbraw/zinc/19/91/54/509199154.db2.gz FQNJYMZVPPVOOA-UHFFFAOYSA-N 1 2 369.494 2.558 10 0 FFAELO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750325 509210484 /nfs/dbraw/zinc/21/04/84/509210484.db2.gz MWUCPZDLRUATAN-PKOBYXMFSA-N 1 2 360.498 2.819 10 0 FFAELO O=C(c1ccccc1Nc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172754307 509214799 /nfs/dbraw/zinc/21/47/99/509214799.db2.gz RUGDHRDRCGTTNQ-GOSISDBHSA-N 1 2 351.450 2.977 10 0 FFAELO COC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc(C)c(OC)c3)no2)C[C@H]1C ZINC000191861646 509218122 /nfs/dbraw/zinc/21/81/22/509218122.db2.gz ZPXFHZOTJZCAIA-HIFRSBDPSA-N 1 2 359.426 2.685 10 0 FFAELO COC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc(C)c(OC)c3)no2)C[C@H]1C ZINC000191861646 509218126 /nfs/dbraw/zinc/21/81/26/509218126.db2.gz ZPXFHZOTJZCAIA-HIFRSBDPSA-N 1 2 359.426 2.685 10 0 FFAELO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172767466 509222334 /nfs/dbraw/zinc/22/23/34/509222334.db2.gz BRHGICRDAYZBHG-AEFFLSMTSA-N 1 2 360.498 2.685 10 0 FFAELO Cc1cc(=O)n2nc(C[N@H+]3CC=C(c4ccccc4F)CC3)sc2n1 ZINC000185573566 509243423 /nfs/dbraw/zinc/24/34/23/509243423.db2.gz PAEYEIFLNFROKA-UHFFFAOYSA-N 1 2 356.426 2.888 10 0 FFAELO Cc1cc(=O)n2nc(C[N@@H+]3CC=C(c4ccccc4F)CC3)sc2n1 ZINC000185573566 509243429 /nfs/dbraw/zinc/24/34/29/509243429.db2.gz PAEYEIFLNFROKA-UHFFFAOYSA-N 1 2 356.426 2.888 10 0 FFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)N(C)Cc2cccnc2)c2cccs2)CCO1 ZINC000248325498 509270075 /nfs/dbraw/zinc/27/00/75/509270075.db2.gz BHODZSJIAVVUDQ-DOTOQJQBSA-N 1 2 374.510 2.747 10 0 FFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)N(C)Cc2cccnc2)c2cccs2)CCO1 ZINC000248325498 509270079 /nfs/dbraw/zinc/27/00/79/509270079.db2.gz BHODZSJIAVVUDQ-DOTOQJQBSA-N 1 2 374.510 2.747 10 0 FFAELO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)no1 ZINC000248358110 509276377 /nfs/dbraw/zinc/27/63/77/509276377.db2.gz QIUCUFSXZBAYHP-STQMWFEESA-N 1 2 350.444 2.628 10 0 FFAELO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)no1 ZINC000248358110 509276384 /nfs/dbraw/zinc/27/63/84/509276384.db2.gz QIUCUFSXZBAYHP-STQMWFEESA-N 1 2 350.444 2.628 10 0 FFAELO COc1ccc2c(c1)C=C(S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1)CC2 ZINC000185653540 509286710 /nfs/dbraw/zinc/28/67/10/509286710.db2.gz CLLWURNNKNGXFK-KRWDZBQOSA-N 1 2 373.478 2.673 10 0 FFAELO C[C@@H](CN1CCOCC1)[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000248419524 509309326 /nfs/dbraw/zinc/30/93/26/509309326.db2.gz LCXIAUWHYFAVDH-WMLDXEAASA-N 1 2 358.404 2.799 10 0 FFAELO C[C@@H](CN1CCOCC1)[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000248419524 509309330 /nfs/dbraw/zinc/30/93/30/509309330.db2.gz LCXIAUWHYFAVDH-WMLDXEAASA-N 1 2 358.404 2.799 10 0 FFAELO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000176109515 509327248 /nfs/dbraw/zinc/32/72/48/509327248.db2.gz XINUNHQWUHQKIZ-INIZCTEOSA-N 1 2 351.414 2.548 10 0 FFAELO CCN(CC)c1ncc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)s1 ZINC000185754304 509339657 /nfs/dbraw/zinc/33/96/57/509339657.db2.gz QIYAYWUOADXWPW-UHFFFAOYSA-N 1 2 372.498 2.976 10 0 FFAELO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccc(S(C)(=O)=O)cc1 ZINC000163331200 509362675 /nfs/dbraw/zinc/36/26/75/509362675.db2.gz LCOFYSXZJLKUIC-CYBMUJFWSA-N 1 2 357.435 2.991 10 0 FFAELO COC(=O)[C@@H](c1ccccc1C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248602225 509386228 /nfs/dbraw/zinc/38/62/28/509386228.db2.gz DEVMYRGBAHPQLX-QFBILLFUSA-N 1 2 354.454 2.600 10 0 FFAELO COC(=O)[C@@H](c1ccccc1C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248602225 509386237 /nfs/dbraw/zinc/38/62/37/509386237.db2.gz DEVMYRGBAHPQLX-QFBILLFUSA-N 1 2 354.454 2.600 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@](C)(O)[C@H](C)c3ccccc3)CC2)s1 ZINC000176274340 509415670 /nfs/dbraw/zinc/41/56/70/509415670.db2.gz WXCUZKGJKPVUQZ-FOIQADDNSA-N 1 2 373.522 2.650 10 0 FFAELO CC[C@@H](C)Oc1cc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)ccn1 ZINC000248655120 509421921 /nfs/dbraw/zinc/42/19/21/509421921.db2.gz BDKMKIVFMRUGMG-ZBFHGGJFSA-N 1 2 357.458 2.622 10 0 FFAELO CC[C@@H](C)Oc1cc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)ccn1 ZINC000248655120 509421928 /nfs/dbraw/zinc/42/19/28/509421928.db2.gz BDKMKIVFMRUGMG-ZBFHGGJFSA-N 1 2 357.458 2.622 10 0 FFAELO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000176310646 509436643 /nfs/dbraw/zinc/43/66/43/509436643.db2.gz CFLLVSHSHQPOOU-HZPDHXFCSA-N 1 2 372.444 2.724 10 0 FFAELO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000176310646 509436650 /nfs/dbraw/zinc/43/66/50/509436650.db2.gz CFLLVSHSHQPOOU-HZPDHXFCSA-N 1 2 372.444 2.724 10 0 FFAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)n1 ZINC000179423381 509436841 /nfs/dbraw/zinc/43/68/41/509436841.db2.gz JNHJACJCZGBSST-MRXNPFEDSA-N 1 2 366.469 2.502 10 0 FFAELO O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000189155210 509439483 /nfs/dbraw/zinc/43/94/83/509439483.db2.gz JCJRUHPAPPTFRL-ROUUACIJSA-N 1 2 353.470 2.665 10 0 FFAELO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248740930 509461729 /nfs/dbraw/zinc/46/17/29/509461729.db2.gz FBURCGRIVDMHPZ-POAQFYNOSA-N 1 2 357.498 2.816 10 0 FFAELO O=C(Nc1ccc2oc(=O)ccc2c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186037271 509493985 /nfs/dbraw/zinc/49/39/85/509493985.db2.gz YWLWQKQSAZLWQD-UHFFFAOYSA-N 1 2 364.405 2.932 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccc(Cl)cc2)nc[nH+]1 ZINC000173289877 509507762 /nfs/dbraw/zinc/50/77/62/509507762.db2.gz FFOOBZBDQGBDTD-HNNXBMFYSA-N 1 2 374.876 2.640 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccc(Cl)cc2)[nH+]cn1 ZINC000173289877 509507775 /nfs/dbraw/zinc/50/77/75/509507775.db2.gz FFOOBZBDQGBDTD-HNNXBMFYSA-N 1 2 374.876 2.640 10 0 FFAELO Cn1c[nH+]cc1CCC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000189342540 509530564 /nfs/dbraw/zinc/53/05/64/509530564.db2.gz KXLYGTGFWFCWDS-CVEARBPZSA-N 1 2 367.371 2.706 10 0 FFAELO Cc1cccc(N2CCC(NC(=O)c3n[nH]nc3-c3ccccc3)CC2)[nH+]1 ZINC000189397249 509556521 /nfs/dbraw/zinc/55/65/21/509556521.db2.gz CZSLEGFBCJRMRP-UHFFFAOYSA-N 1 2 362.437 2.574 10 0 FFAELO CCCCO[C@@H](C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176563806 509586084 /nfs/dbraw/zinc/58/60/84/509586084.db2.gz ZUXLCYGKPXAWOI-HOTGVXAUSA-N 1 2 354.516 2.751 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccnc2)[NH+]2CCOCC2)s1 ZINC000176568611 509588060 /nfs/dbraw/zinc/58/80/60/509588060.db2.gz OSKGQKZYZZVVET-DOTOQJQBSA-N 1 2 359.495 2.745 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(C(F)F)c2)nc[nH+]1 ZINC000173422987 509590037 /nfs/dbraw/zinc/59/00/37/509590037.db2.gz NGHRAOHSFWLBAL-CQSZACIVSA-N 1 2 361.396 2.855 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(C(F)F)c2)[nH+]cn1 ZINC000173422987 509590040 /nfs/dbraw/zinc/59/00/40/509590040.db2.gz NGHRAOHSFWLBAL-CQSZACIVSA-N 1 2 361.396 2.855 10 0 FFAELO C[C@@H]1CN([C@@H](CNC(=O)c2ccc3[nH+]ccn3c2)c2cccs2)CCO1 ZINC000176591496 509599583 /nfs/dbraw/zinc/59/95/83/509599583.db2.gz VTPLNVQXKUHOLZ-ZBFHGGJFSA-N 1 2 370.478 2.588 10 0 FFAELO CCOc1cccc(CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186349020 509662261 /nfs/dbraw/zinc/66/22/61/509662261.db2.gz PSCNHCSMUZNWJP-UHFFFAOYSA-N 1 2 354.454 2.902 10 0 FFAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)NCc1ccccc1Cl ZINC000173625394 509682420 /nfs/dbraw/zinc/68/24/20/509682420.db2.gz ZMXKNSPYGHJVIU-CHWSQXEVSA-N 1 2 361.877 2.623 10 0 FFAELO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179964914 509690224 /nfs/dbraw/zinc/69/02/24/509690224.db2.gz KZOYQBBGIRXVHR-JQFCIGGWSA-N 1 2 369.868 2.781 10 0 FFAELO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179964914 509690229 /nfs/dbraw/zinc/69/02/29/509690229.db2.gz KZOYQBBGIRXVHR-JQFCIGGWSA-N 1 2 369.868 2.781 10 0 FFAELO COc1cccc([C@H]2C[C@@H]2C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186407790 509695304 /nfs/dbraw/zinc/69/53/04/509695304.db2.gz USPDCTFYDGXKTM-MOPGFXCFSA-N 1 2 351.450 2.933 10 0 FFAELO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000173647137 509696502 /nfs/dbraw/zinc/69/65/02/509696502.db2.gz CDSGLXMMZBNPID-RDTXWAMCSA-N 1 2 370.453 2.679 10 0 FFAELO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000173647137 509696508 /nfs/dbraw/zinc/69/65/08/509696508.db2.gz CDSGLXMMZBNPID-RDTXWAMCSA-N 1 2 370.453 2.679 10 0 FFAELO Cn1c(Cl)cnc1C[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000183292876 509701103 /nfs/dbraw/zinc/70/11/03/509701103.db2.gz KFWKYQNCLUEKTN-CQSZACIVSA-N 1 2 358.269 2.736 10 0 FFAELO Cn1c(Cl)cnc1C[N@@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000183292876 509701109 /nfs/dbraw/zinc/70/11/09/509701109.db2.gz KFWKYQNCLUEKTN-CQSZACIVSA-N 1 2 358.269 2.736 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000176879711 509740075 /nfs/dbraw/zinc/74/00/75/509740075.db2.gz CJQJYEDXTRYMOF-RUZDIDTESA-N 1 2 371.409 2.953 10 0 FFAELO CCOc1cccc(CNC(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)c1 ZINC000249715217 509742242 /nfs/dbraw/zinc/74/22/42/509742242.db2.gz HWPIDFCFTHDQHZ-UHOSZYNNSA-N 1 2 374.481 2.508 10 0 FFAELO CCOc1cccc(CNC(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)c1 ZINC000249715217 509742247 /nfs/dbraw/zinc/74/22/47/509742247.db2.gz HWPIDFCFTHDQHZ-UHOSZYNNSA-N 1 2 374.481 2.508 10 0 FFAELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CCO2)[nH]1 ZINC000180105540 509754054 /nfs/dbraw/zinc/75/40/54/509754054.db2.gz ALUPADCJWATLKG-GOSISDBHSA-N 1 2 353.401 2.888 10 0 FFAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CCO2)[nH]1 ZINC000180105540 509754057 /nfs/dbraw/zinc/75/40/57/509754057.db2.gz ALUPADCJWATLKG-GOSISDBHSA-N 1 2 353.401 2.888 10 0 FFAELO COc1ccc2sc(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)c(C)c2c1 ZINC000173763004 509761075 /nfs/dbraw/zinc/76/10/75/509761075.db2.gz KPSUJDRCJDBXCG-HNNXBMFYSA-N 1 2 360.479 2.811 10 0 FFAELO COc1ccc2sc(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)c(C)c2c1 ZINC000173763004 509761079 /nfs/dbraw/zinc/76/10/79/509761079.db2.gz KPSUJDRCJDBXCG-HNNXBMFYSA-N 1 2 360.479 2.811 10 0 FFAELO O=C(Nc1cccc(OCC(F)(F)F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173795747 509782647 /nfs/dbraw/zinc/78/26/47/509782647.db2.gz OCZLIWOHADJAIY-AWEZNQCLSA-N 1 2 373.375 2.566 10 0 FFAELO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000173806489 509789206 /nfs/dbraw/zinc/78/92/06/509789206.db2.gz NATAUKWKURPNGZ-HNNXBMFYSA-N 1 2 365.905 2.734 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cnn(C(C)C)c3C)CC2)cs1 ZINC000180169320 509791880 /nfs/dbraw/zinc/79/18/80/509791880.db2.gz AMKCYTXVDDXTJA-UHFFFAOYSA-N 1 2 361.515 2.885 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cnn(C(C)C)c3C)CC2)cs1 ZINC000180169320 509791886 /nfs/dbraw/zinc/79/18/86/509791886.db2.gz AMKCYTXVDDXTJA-UHFFFAOYSA-N 1 2 361.515 2.885 10 0 FFAELO C[C@H]1CN(C(=O)c2cc(Cl)cc3cccnc32)C[C@H]1[NH+]1CCOCC1 ZINC000173876874 509829271 /nfs/dbraw/zinc/82/92/71/509829271.db2.gz AHCTUKLOPGATTM-SUMWQHHRSA-N 1 2 359.857 2.681 10 0 FFAELO Cc1ccc(N2CCC[N@@H+](Cc3nc([C@@H](C)OCC(C)C)no3)CC2)nn1 ZINC000173883693 509834024 /nfs/dbraw/zinc/83/40/24/509834024.db2.gz BDFNDLPYSZUVTJ-MRXNPFEDSA-N 1 2 374.489 2.614 10 0 FFAELO Cc1ccc(N2CCC[N@H+](Cc3nc([C@@H](C)OCC(C)C)no3)CC2)nn1 ZINC000173883693 509834029 /nfs/dbraw/zinc/83/40/29/509834029.db2.gz BDFNDLPYSZUVTJ-MRXNPFEDSA-N 1 2 374.489 2.614 10 0 FFAELO O=C(Nc1ccccc1CC(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173905521 509844593 /nfs/dbraw/zinc/84/45/93/509844593.db2.gz UNYCITLNQRSMNB-CQSZACIVSA-N 1 2 357.376 2.730 10 0 FFAELO O=C(Nc1ccc(CC(F)(F)F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173904741 509845481 /nfs/dbraw/zinc/84/54/81/509845481.db2.gz PFMYPGBNJQBENQ-HNNXBMFYSA-N 1 2 357.376 2.730 10 0 FFAELO Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173928412 509858697 /nfs/dbraw/zinc/85/86/97/509858697.db2.gz GYYOQSXBENAANW-LLVKDONJSA-N 1 2 363.377 2.501 10 0 FFAELO COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173930806 509860345 /nfs/dbraw/zinc/86/03/45/509860345.db2.gz CBZMHPZOLVBBOD-PBHICJAKSA-N 1 2 358.442 2.820 10 0 FFAELO C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173934252 509861509 /nfs/dbraw/zinc/86/15/09/509861509.db2.gz ANZDEOXKLDHJLE-CQSZACIVSA-N 1 2 363.421 2.532 10 0 FFAELO C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173940154 509864436 /nfs/dbraw/zinc/86/44/36/509864436.db2.gz UODHFYMEFMGZLK-AWEZNQCLSA-N 1 2 369.446 2.767 10 0 FFAELO C[C@H](CNC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000189994197 509872647 /nfs/dbraw/zinc/87/26/47/509872647.db2.gz BRYIDEIUTGCBOC-CYBMUJFWSA-N 1 2 374.403 2.700 10 0 FFAELO CC(C)(C)OCc1cc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)no1 ZINC000186739303 509882045 /nfs/dbraw/zinc/88/20/45/509882045.db2.gz RYTUQIVJJQJALI-UHFFFAOYSA-N 1 2 358.442 2.737 10 0 FFAELO C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000174012261 509902348 /nfs/dbraw/zinc/90/23/48/509902348.db2.gz BATLHZHKWARCGZ-RYUDHWBXSA-N 1 2 373.316 2.547 10 0 FFAELO CCOc1cc(C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)cc(Cl)c1O ZINC000186817392 509905913 /nfs/dbraw/zinc/90/59/13/509905913.db2.gz GAVWAFBMUZHIMF-CQSZACIVSA-N 1 2 370.877 2.627 10 0 FFAELO CCOc1cc(C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)cc(Cl)c1O ZINC000186817392 509905917 /nfs/dbraw/zinc/90/59/17/509905917.db2.gz GAVWAFBMUZHIMF-CQSZACIVSA-N 1 2 370.877 2.627 10 0 FFAELO COc1ccc(-c2nc(CN3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)cs2)cc1 ZINC000177221493 509946004 /nfs/dbraw/zinc/94/60/04/509946004.db2.gz VPWDAMMYFZSQOK-KXBFYZLASA-N 1 2 373.522 2.971 10 0 FFAELO CCCC[C@@H](C(=O)OC)[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000245458353 509946390 /nfs/dbraw/zinc/94/63/90/509946390.db2.gz UUPHDLQOKGZXQW-JKSUJKDBSA-N 1 2 354.516 2.785 10 0 FFAELO CCCC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000245458353 509946391 /nfs/dbraw/zinc/94/63/91/509946391.db2.gz UUPHDLQOKGZXQW-JKSUJKDBSA-N 1 2 354.516 2.785 10 0 FFAELO Cc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)n1 ZINC000174163289 509977899 /nfs/dbraw/zinc/97/78/99/509977899.db2.gz YAHWBHHJYXZROG-GJZGRUSLSA-N 1 2 373.526 2.625 10 0 FFAELO Cc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)n1 ZINC000174163289 509977909 /nfs/dbraw/zinc/97/79/09/509977909.db2.gz YAHWBHHJYXZROG-GJZGRUSLSA-N 1 2 373.526 2.625 10 0 FFAELO O[C@@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)COc1ccccc1F ZINC000174244873 510022282 /nfs/dbraw/zinc/02/22/82/510022282.db2.gz ZZXBLUGGEJJBGQ-AWEZNQCLSA-N 1 2 361.417 2.885 10 0 FFAELO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1C ZINC000245596207 510028846 /nfs/dbraw/zinc/02/88/46/510028846.db2.gz HMTFUDREPZVZGC-JKSUJKDBSA-N 1 2 361.442 2.650 10 0 FFAELO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1C ZINC000245596207 510028854 /nfs/dbraw/zinc/02/88/54/510028854.db2.gz HMTFUDREPZVZGC-JKSUJKDBSA-N 1 2 361.442 2.650 10 0 FFAELO COC(=O)CCCc1nc(CN[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000180646225 510031118 /nfs/dbraw/zinc/03/11/18/510031118.db2.gz ASSRVWXFLXXLMR-AWEZNQCLSA-N 1 2 369.425 2.602 10 0 FFAELO CCCCOc1ncccc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177452636 510068888 /nfs/dbraw/zinc/06/88/88/510068888.db2.gz SCENIXIFJQPJTG-QGZVFWFLSA-N 1 2 357.458 2.831 10 0 FFAELO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000190359045 510084718 /nfs/dbraw/zinc/08/47/18/510084718.db2.gz CLPUZNVNCSEKCJ-UHFFFAOYSA-N 1 2 351.491 2.919 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)Cc2cn3ccccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000245693376 510089597 /nfs/dbraw/zinc/08/95/97/510089597.db2.gz PERDMTNZUCEMRC-FXAWDEMLSA-N 1 2 370.403 2.717 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)Cc2cn3ccccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000245693376 510089603 /nfs/dbraw/zinc/08/96/03/510089603.db2.gz PERDMTNZUCEMRC-FXAWDEMLSA-N 1 2 370.403 2.717 10 0 FFAELO CCO[C@@H]1C[C@H](NC(=O)Cn2c(CC)[nH+]c3ccccc32)C12CCOCC2 ZINC000187153125 510091025 /nfs/dbraw/zinc/09/10/25/510091025.db2.gz PYHPMPQRLWLJBY-ZWKOTPCHSA-N 1 2 371.481 2.689 10 0 FFAELO CNS(=O)(=O)CC[NH2+][C@@H](c1ccccc1Cl)c1ccccc1OC ZINC000187169060 510100209 /nfs/dbraw/zinc/10/02/09/510100209.db2.gz VIQCZGOGXZXRJM-KRWDZBQOSA-N 1 2 368.886 2.577 10 0 FFAELO CNS(=O)(=O)CC[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000187194431 510116349 /nfs/dbraw/zinc/11/63/49/510116349.db2.gz HFJUVTIEZXWJAA-QGZVFWFLSA-N 1 2 368.886 2.577 10 0 FFAELO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1OCC ZINC000171413408 510144424 /nfs/dbraw/zinc/14/44/24/510144424.db2.gz BXTOMXMFZNMPPO-QGZVFWFLSA-N 1 2 372.469 2.993 10 0 FFAELO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1OCC ZINC000171413408 510144431 /nfs/dbraw/zinc/14/44/31/510144431.db2.gz BXTOMXMFZNMPPO-QGZVFWFLSA-N 1 2 372.469 2.993 10 0 FFAELO C[S@](=O)c1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000184118701 510144399 /nfs/dbraw/zinc/14/43/99/510144399.db2.gz KLNPWLUFDHYEFJ-VWLOTQADSA-N 1 2 358.467 2.563 10 0 FFAELO C[C@@H](CNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000245800399 510149522 /nfs/dbraw/zinc/14/95/22/510149522.db2.gz ZFIUKHIMFMEEMG-CEXWTWQISA-N 1 2 354.535 2.979 10 0 FFAELO c1cnn(C[C@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000171511092 510199527 /nfs/dbraw/zinc/19/95/27/510199527.db2.gz MBADHORADCIUCM-OAQYLSRUSA-N 1 2 364.449 2.758 10 0 FFAELO c1cnn(C[C@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000171511092 510199533 /nfs/dbraw/zinc/19/95/33/510199533.db2.gz MBADHORADCIUCM-OAQYLSRUSA-N 1 2 364.449 2.758 10 0 FFAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000194083226 510206039 /nfs/dbraw/zinc/20/60/39/510206039.db2.gz DGIFQQNRFJESGY-CABCVRRESA-N 1 2 350.850 2.890 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000184238248 510210704 /nfs/dbraw/zinc/21/07/04/510210704.db2.gz AIZUVXYLLPCGBV-KXBFYZLASA-N 1 2 373.497 2.713 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000184238248 510210709 /nfs/dbraw/zinc/21/07/09/510210709.db2.gz AIZUVXYLLPCGBV-KXBFYZLASA-N 1 2 373.497 2.713 10 0 FFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2c[nH]nc2C2CC2)c2cccs2)CCO1 ZINC000190577491 510218585 /nfs/dbraw/zinc/21/85/85/510218585.db2.gz DQHJSYDDTZZNMI-WFASDCNBSA-N 1 2 360.483 2.540 10 0 FFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2c[nH]nc2C2CC2)c2cccs2)CCO1 ZINC000190577491 510218591 /nfs/dbraw/zinc/21/85/91/510218591.db2.gz DQHJSYDDTZZNMI-WFASDCNBSA-N 1 2 360.483 2.540 10 0 FFAELO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000184260038 510225198 /nfs/dbraw/zinc/22/51/98/510225198.db2.gz YIULLXMSUNBXOT-MRXNPFEDSA-N 1 2 363.483 2.809 10 0 FFAELO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000184260038 510225205 /nfs/dbraw/zinc/22/52/05/510225205.db2.gz YIULLXMSUNBXOT-MRXNPFEDSA-N 1 2 363.483 2.809 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000184265763 510228124 /nfs/dbraw/zinc/22/81/24/510228124.db2.gz IGQWYAXEEIZLAH-BBRMVZONSA-N 1 2 356.413 2.966 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000184265763 510228129 /nfs/dbraw/zinc/22/81/29/510228129.db2.gz IGQWYAXEEIZLAH-BBRMVZONSA-N 1 2 356.413 2.966 10 0 FFAELO CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177797421 510259511 /nfs/dbraw/zinc/25/95/11/510259511.db2.gz CAECBZLHZQRUFY-SFHVURJKSA-N 1 2 368.481 2.964 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000184339996 510271975 /nfs/dbraw/zinc/27/19/75/510271975.db2.gz ZCGQFIROIZQFJZ-OAHLLOKOSA-N 1 2 355.276 2.566 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000184339996 510271981 /nfs/dbraw/zinc/27/19/81/510271981.db2.gz ZCGQFIROIZQFJZ-OAHLLOKOSA-N 1 2 355.276 2.566 10 0 FFAELO Cc1ccc2c(c1)[C@@H](NC(=O)C[NH+]1CCN(c3ccccn3)CC1)[C@@H](C)C2 ZINC000181114888 510278622 /nfs/dbraw/zinc/27/86/22/510278622.db2.gz GPBHELXHAXXXTB-JTSKRJEESA-N 1 2 364.493 2.562 10 0 FFAELO C[N@@H+]1CCO[C@H](CNC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)C1 ZINC000174749917 510290209 /nfs/dbraw/zinc/29/02/09/510290209.db2.gz DSZPVDWYKSALBC-NHCUHLMSSA-N 1 2 365.477 2.826 10 0 FFAELO C[N@H+]1CCO[C@H](CNC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)C1 ZINC000174749917 510290215 /nfs/dbraw/zinc/29/02/15/510290215.db2.gz DSZPVDWYKSALBC-NHCUHLMSSA-N 1 2 365.477 2.826 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000184413764 510312290 /nfs/dbraw/zinc/31/22/90/510312290.db2.gz CAVCEVLRLAWEFI-GOSISDBHSA-N 1 2 354.454 2.891 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000184413764 510312294 /nfs/dbraw/zinc/31/22/94/510312294.db2.gz CAVCEVLRLAWEFI-GOSISDBHSA-N 1 2 354.454 2.891 10 0 FFAELO CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187610296 510354325 /nfs/dbraw/zinc/35/43/25/510354325.db2.gz OXDVYQDXIHFSBX-HOTGVXAUSA-N 1 2 369.490 2.895 10 0 FFAELO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190824796 510361737 /nfs/dbraw/zinc/36/17/37/510361737.db2.gz LRLYNJMHMBLFJP-UXHICEINSA-N 1 2 370.497 2.886 10 0 FFAELO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190824796 510361742 /nfs/dbraw/zinc/36/17/42/510361742.db2.gz LRLYNJMHMBLFJP-UXHICEINSA-N 1 2 370.497 2.886 10 0 FFAELO C[C@@H](NC(=O)NCc1cccc(C(N)=O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174914288 510383499 /nfs/dbraw/zinc/38/34/99/510383499.db2.gz YDYXKYSCUFZYAB-CQSZACIVSA-N 1 2 363.421 2.532 10 0 FFAELO CC(C)c1nnc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C ZINC000178041689 510396936 /nfs/dbraw/zinc/39/69/36/510396936.db2.gz JZDQAPRPTICSFM-MRXNPFEDSA-N 1 2 355.486 2.581 10 0 FFAELO CC(C)c1nnc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C ZINC000178041689 510396938 /nfs/dbraw/zinc/39/69/38/510396938.db2.gz JZDQAPRPTICSFM-MRXNPFEDSA-N 1 2 355.486 2.581 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)C[C@@H](O)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000246266714 510397277 /nfs/dbraw/zinc/39/72/77/510397277.db2.gz AGJKJOBZQFRFHC-NLWGTHIKSA-N 1 2 360.404 2.950 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)C[C@@H](O)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000246266714 510397282 /nfs/dbraw/zinc/39/72/82/510397282.db2.gz AGJKJOBZQFRFHC-NLWGTHIKSA-N 1 2 360.404 2.950 10 0 FFAELO COc1cc(N[C@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C)C2)cc(OC)c1 ZINC000178055483 510403832 /nfs/dbraw/zinc/40/38/32/510403832.db2.gz WSNJNPAUSREZTE-HNNXBMFYSA-N 1 2 371.485 2.786 10 0 FFAELO COc1cc(N[C@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C)C2)cc(OC)c1 ZINC000178055483 510403838 /nfs/dbraw/zinc/40/38/38/510403838.db2.gz WSNJNPAUSREZTE-HNNXBMFYSA-N 1 2 371.485 2.786 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2scc(C)c2Br)C[C@@H]1C ZINC000190940050 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COc1ccc(C(C)(C)CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1 ZINC000110373636 508024514 /nfs/dbraw/zinc/02/45/14/508024514.db2.gz RJXAGJLCKMEVLL-INIZCTEOSA-N 1 2 356.470 2.836 10 0 FFAELO OC[C@H]1CCCN1c1cc(NCCc2c[nH]c3cc(F)ccc23)[nH+]cn1 ZINC000110392619 508026032 /nfs/dbraw/zinc/02/60/32/508026032.db2.gz GTZSYFTZALCUNZ-OAHLLOKOSA-N 1 2 355.417 2.713 10 0 FFAELO OC[C@H]1CCCN1c1cc(NCCc2c[nH]c3cc(F)ccc23)nc[nH+]1 ZINC000110392619 508026034 /nfs/dbraw/zinc/02/60/34/508026034.db2.gz GTZSYFTZALCUNZ-OAHLLOKOSA-N 1 2 355.417 2.713 10 0 FFAELO C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876538 508066527 /nfs/dbraw/zinc/06/65/27/508066527.db2.gz YLKLCXPAPGGHNO-KPOBHBOGSA-N 1 2 362.433 2.891 10 0 FFAELO CCOc1ccc(C2=CCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)CC2)cc1 ZINC000093288595 508135924 /nfs/dbraw/zinc/13/59/24/508135924.db2.gz FEBLODKCUOTQOX-KRWDZBQOSA-N 1 2 373.497 2.605 10 0 FFAELO Clc1cc(CN2CCC[C@@H]2C[NH+]2CCOCC2)c2c(c1)COCO2 ZINC000075890739 508141670 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CC(C)OC(=O)[C@H](C)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470722 508210606 /nfs/dbraw/zinc/21/06/06/508210606.db2.gz DTMBWDBBDJEASM-HUUCEWRRSA-N 1 2 358.442 2.820 10 0 FFAELO Cc1cccc(OCCNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000112712499 508213893 /nfs/dbraw/zinc/21/38/93/508213893.db2.gz WSBUTILSBJCFEF-UHFFFAOYSA-N 1 2 356.470 2.999 10 0 FFAELO C[C@@H](NC(=O)NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1CCCO1 ZINC000083643680 508250290 /nfs/dbraw/zinc/25/02/90/508250290.db2.gz XLSNVSGOKZRWJZ-AEFFLSMTSA-N 1 2 356.470 2.883 10 0 FFAELO O=C(NCCn1cc[nH+]c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113575316 508273595 /nfs/dbraw/zinc/27/35/95/508273595.db2.gz CEVSHGQTYHKMIU-KRWDZBQOSA-N 1 2 364.453 2.862 10 0 FFAELO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C[C@@H]1CCCO1 ZINC000102770118 508284401 /nfs/dbraw/zinc/28/44/01/508284401.db2.gz WISYHSMQCQEIET-HNNXBMFYSA-N 1 2 363.458 2.922 10 0 FFAELO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C[C@@H]1CCCO1 ZINC000102770118 508284402 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FFAELO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1OC1CCCC1 ZINC000114855306 508354570 /nfs/dbraw/zinc/35/45/70/508354570.db2.gz JGKWJODNAHJWQZ-GOSISDBHSA-N 1 2 374.481 2.610 10 0 FFAELO COc1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1OC1CCCC1 ZINC000114855306 508354573 /nfs/dbraw/zinc/35/45/73/508354573.db2.gz JGKWJODNAHJWQZ-GOSISDBHSA-N 1 2 374.481 2.610 10 0 FFAELO O=C(CCCCc1nc2ccccc2s1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855799 508354683 /nfs/dbraw/zinc/35/46/83/508354683.db2.gz AAKLMJLMIJJTJZ-MRXNPFEDSA-N 1 2 373.522 2.989 10 0 FFAELO O=C(CCCCc1nc2ccccc2s1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114855799 508354685 /nfs/dbraw/zinc/35/46/85/508354685.db2.gz AAKLMJLMIJJTJZ-MRXNPFEDSA-N 1 2 373.522 2.989 10 0 FFAELO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000077734910 508362864 /nfs/dbraw/zinc/36/28/64/508362864.db2.gz LRNXLNMDXPZXGF-INIZCTEOSA-N 1 2 374.485 2.555 10 0 FFAELO CCC(CC)(NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000105279192 508368263 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C[N@@H+](Cc1nc(-c2ccoc2)no1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160236 508396542 /nfs/dbraw/zinc/39/65/42/508396542.db2.gz GEEVMBHXGSPXQM-HNNXBMFYSA-N 1 2 374.466 2.896 10 0 FFAELO C[N@H+](Cc1nc(-c2ccoc2)no1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160236 508396543 /nfs/dbraw/zinc/39/65/43/508396543.db2.gz GEEVMBHXGSPXQM-HNNXBMFYSA-N 1 2 374.466 2.896 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+](Cc3ccccc3Br)CCO2)c1 ZINC000106198808 508397575 /nfs/dbraw/zinc/39/75/75/508397575.db2.gz IBQMSGJDEPKYCI-OAHLLOKOSA-N 1 2 350.260 2.855 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccccc3Br)CCO2)c1 ZINC000106198808 508397576 /nfs/dbraw/zinc/39/75/76/508397576.db2.gz IBQMSGJDEPKYCI-OAHLLOKOSA-N 1 2 350.260 2.855 10 0 FFAELO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000106189469 508397749 /nfs/dbraw/zinc/39/77/49/508397749.db2.gz OZONDCCHGTZSJY-CQSZACIVSA-N 1 2 371.462 2.785 10 0 FFAELO COC(=O)c1sc2ccccc2c1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000106189469 508397751 /nfs/dbraw/zinc/39/77/51/508397751.db2.gz OZONDCCHGTZSJY-CQSZACIVSA-N 1 2 371.462 2.785 10 0 FFAELO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)o1 ZINC000115659309 508422755 /nfs/dbraw/zinc/42/27/55/508422755.db2.gz IOFUFNGFYURCGZ-HNNXBMFYSA-N 1 2 359.474 2.527 10 0 FFAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000156458522 508423174 /nfs/dbraw/zinc/42/31/74/508423174.db2.gz ZWVWXHJHYOKYAQ-LLVKDONJSA-N 1 2 369.391 2.702 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000115749256 508433701 /nfs/dbraw/zinc/43/37/01/508433701.db2.gz SHHXFLRXKBVKST-UHFFFAOYSA-N 1 2 367.497 2.875 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000115808830 508440273 /nfs/dbraw/zinc/44/02/73/508440273.db2.gz QCBRQZHYGRQIAK-MAUKXSAKSA-N 1 2 361.534 2.690 10 0 FFAELO Cc1ccccc1-c1nc(C[NH+]2CCC(Nc3cccnn3)CC2)no1 ZINC000127388591 508443202 /nfs/dbraw/zinc/44/32/02/508443202.db2.gz BCNMQTNYDMWWHX-UHFFFAOYSA-N 1 2 350.426 2.912 10 0 FFAELO 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C[C@@H]1C[N@@H+]([C@@H](CNC(=O)CCc2cscn2)c2cccs2)CCO1 ZINC000176597829 509603590 /nfs/dbraw/zinc/60/35/90/509603590.db2.gz CNCVZPMYUBVCEJ-HIFRSBDPSA-N 1 2 365.524 2.715 10 0 FFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)CCc2cscn2)c2cccs2)CCO1 ZINC000176597829 509603597 /nfs/dbraw/zinc/60/35/97/509603597.db2.gz CNCVZPMYUBVCEJ-HIFRSBDPSA-N 1 2 365.524 2.715 10 0 FFAELO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cc(-c4ccccc4)no3)C2)CC1 ZINC000176672738 509634780 /nfs/dbraw/zinc/63/47/80/509634780.db2.gz FHDYWQDWBFLQTQ-GOSISDBHSA-N 1 2 368.481 2.584 10 0 FFAELO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](NC(C)=O)C3)cs2)c1 ZINC000173540515 509647337 /nfs/dbraw/zinc/64/73/37/509647337.db2.gz JNGDQOXCWJIZFR-MRXNPFEDSA-N 1 2 373.478 2.697 10 0 FFAELO COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@@H](NC(C)=O)C3)cs2)c1 ZINC000173540515 509647344 /nfs/dbraw/zinc/64/73/44/509647344.db2.gz JNGDQOXCWJIZFR-MRXNPFEDSA-N 1 2 373.478 2.697 10 0 FFAELO COCc1ccccc1CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186339946 509657883 /nfs/dbraw/zinc/65/78/83/509657883.db2.gz FMMORIRGVUMIPG-UHFFFAOYSA-N 1 2 354.454 2.650 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)CCO2)c1 ZINC000186344721 509661324 /nfs/dbraw/zinc/66/13/24/509661324.db2.gz FXTNRZVBHSIPLE-GOSISDBHSA-N 1 2 357.454 2.738 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)CCO2)c1 ZINC000186344721 509661329 /nfs/dbraw/zinc/66/13/29/509661329.db2.gz FXTNRZVBHSIPLE-GOSISDBHSA-N 1 2 357.454 2.738 10 0 FFAELO O=C(c1cc(F)c(F)c(F)c1F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186381962 509681351 /nfs/dbraw/zinc/68/13/51/509681351.db2.gz NRUIZIZAESPXRU-UHFFFAOYSA-N 1 2 353.319 2.991 10 0 FFAELO CCCC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)Nc1cc(C)on1 ZINC000173625176 509682409 /nfs/dbraw/zinc/68/24/09/509682409.db2.gz BFDPROMNTTUYSL-ZIAGYGMSSA-N 1 2 360.462 2.759 10 0 FFAELO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3nnc4n3CCCC4)C2=O)cc1 ZINC000173628305 509683820 /nfs/dbraw/zinc/68/38/20/509683820.db2.gz WJASEMVXIDZIFI-DOTOQJQBSA-N 1 2 353.470 2.769 10 0 FFAELO O=C(c1ccc2c(c1)OCCCO2)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186390219 509685811 /nfs/dbraw/zinc/68/58/11/509685811.db2.gz KUFGNJQUZUJZEU-UHFFFAOYSA-N 1 2 353.422 2.595 10 0 FFAELO CC[C@H](CSC)NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000179956940 509687113 /nfs/dbraw/zinc/68/71/13/509687113.db2.gz LYVJOMPOPFRIPC-HUUCEWRRSA-N 1 2 371.572 2.904 10 0 FFAELO O=C(c1coc(Br)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186405956 509694207 /nfs/dbraw/zinc/69/42/07/509694207.db2.gz YKWFSTZCJUEDEV-UHFFFAOYSA-N 1 2 350.216 2.790 10 0 FFAELO O=C(Cc1ccc(OC(F)F)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186413621 509697413 /nfs/dbraw/zinc/69/74/13/509697413.db2.gz VYJTUCIADUJGHD-UHFFFAOYSA-N 1 2 361.392 2.964 10 0 FFAELO COc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173652632 509700717 /nfs/dbraw/zinc/70/07/17/509700717.db2.gz BXLMKLRMMLGMBP-AWEZNQCLSA-N 1 2 364.405 2.697 10 0 FFAELO Cc1nnc([C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCO2)[nH]1 ZINC000173658893 509703532 /nfs/dbraw/zinc/70/35/32/509703532.db2.gz RSVRZKGGHMPEIQ-GOSISDBHSA-N 1 2 351.410 2.874 10 0 FFAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCO2)[nH]1 ZINC000173658893 509703536 /nfs/dbraw/zinc/70/35/36/509703536.db2.gz RSVRZKGGHMPEIQ-GOSISDBHSA-N 1 2 351.410 2.874 10 0 FFAELO Fc1ccc(-n2ccc(C[NH+]3CCC(Nc4cccnn4)CC3)n2)cc1 ZINC000173672059 509712180 /nfs/dbraw/zinc/71/21/80/509712180.db2.gz KCDNJHWMGNLXHI-UHFFFAOYSA-N 1 2 352.417 2.878 10 0 FFAELO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(C(C)C)n3C)ccc2NC1=O ZINC000180027229 509715393 /nfs/dbraw/zinc/71/53/93/509715393.db2.gz INKVNCCAMCUZEY-WFASDCNBSA-N 1 2 357.458 2.899 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000176879729 509739818 /nfs/dbraw/zinc/73/98/18/509739818.db2.gz CJQJYEDXTRYMOF-VWLOTQADSA-N 1 2 371.409 2.953 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000176888152 509745307 /nfs/dbraw/zinc/74/53/07/509745307.db2.gz KCSVDYUROGUKMN-YPCHGGDPSA-N 1 2 351.516 2.894 10 0 FFAELO CC[C@H]1CC[C@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC1 ZINC000249768144 509760964 /nfs/dbraw/zinc/76/09/64/509760964.db2.gz IXCZMRNOBRZXLQ-UFYCRDLUSA-N 1 2 374.525 2.787 10 0 FFAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000173766479 509764398 /nfs/dbraw/zinc/76/43/98/509764398.db2.gz CJSSFROPZRZMEV-UZLBHIALSA-N 1 2 357.498 2.743 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+](Cc3cccc(SC(=O)N(C)C)c3)CCO2)c1 ZINC000176918521 509766417 /nfs/dbraw/zinc/76/64/17/509766417.db2.gz DOLZTKZUSBTWLD-QGZVFWFLSA-N 1 2 374.510 2.866 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3cccc(SC(=O)N(C)C)c3)CCO2)c1 ZINC000176918521 509766426 /nfs/dbraw/zinc/76/64/26/509766426.db2.gz DOLZTKZUSBTWLD-QGZVFWFLSA-N 1 2 374.510 2.866 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2scnc2C(C)(C)C)nc[nH+]1 ZINC000176925791 509769177 /nfs/dbraw/zinc/76/91/77/509769177.db2.gz NWLJIYUQNHKUFV-LBPRGKRZSA-N 1 2 374.514 2.671 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2scnc2C(C)(C)C)[nH+]cn1 ZINC000176925791 509769183 /nfs/dbraw/zinc/76/91/83/509769183.db2.gz NWLJIYUQNHKUFV-LBPRGKRZSA-N 1 2 374.514 2.671 10 0 FFAELO CCc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1C ZINC000170779748 509772769 /nfs/dbraw/zinc/77/27/69/509772769.db2.gz DPRUIMNWZYEXFZ-INIZCTEOSA-N 1 2 370.501 2.720 10 0 FFAELO CCc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1C ZINC000170779748 509772775 /nfs/dbraw/zinc/77/27/75/509772775.db2.gz DPRUIMNWZYEXFZ-INIZCTEOSA-N 1 2 370.501 2.720 10 0 FFAELO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000173782218 509774201 /nfs/dbraw/zinc/77/42/01/509774201.db2.gz OYJWRHNDOPTRRQ-KRWDZBQOSA-N 1 2 365.905 2.734 10 0 FFAELO C[C@@H]1CN(C(=O)c2csc(Cc3ccccc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000173864963 509824016 /nfs/dbraw/zinc/82/40/16/509824016.db2.gz OXGXKIQZIJHSLO-CRAIPNDOSA-N 1 2 371.506 2.527 10 0 FFAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2c(C)nn(C)c2N2CCOCC2)cs1 ZINC000189939140 509839543 /nfs/dbraw/zinc/83/95/43/509839543.db2.gz WGSQNKMEFHXRRM-KRWDZBQOSA-N 1 2 361.515 2.667 10 0 FFAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2N2CCOCC2)cs1 ZINC000189939140 509839553 /nfs/dbraw/zinc/83/95/53/509839553.db2.gz WGSQNKMEFHXRRM-KRWDZBQOSA-N 1 2 361.515 2.667 10 0 FFAELO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000173899028 509842113 /nfs/dbraw/zinc/84/21/13/509842113.db2.gz VOABORSKIUFYBG-CQSZACIVSA-N 1 2 351.422 2.551 10 0 FFAELO C[C@@H](NC(=O)c1cccc(-n2cncn2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173915231 509851319 /nfs/dbraw/zinc/85/13/19/509851319.db2.gz BULDGGQZMQSUQT-OAHLLOKOSA-N 1 2 358.405 2.944 10 0 FFAELO Cc1cccn2c(=O)c(C(=O)N[C@@H](C)c3cccc(-n4cc[nH+]c4)c3)cnc12 ZINC000180303917 509858781 /nfs/dbraw/zinc/85/87/81/509858781.db2.gz FDTQBRKTDXMULD-HNNXBMFYSA-N 1 2 373.416 2.680 10 0 FFAELO C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H]1n1cc[nH+]c1 ZINC000186700172 509859473 /nfs/dbraw/zinc/85/94/73/509859473.db2.gz WALGUZXUAGXUBR-DYVFJYSZSA-N 1 2 368.441 2.975 10 0 FFAELO C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000170940945 509860425 /nfs/dbraw/zinc/86/04/25/509860425.db2.gz GNHICEFRKMWOLE-LBPRGKRZSA-N 1 2 361.396 2.658 10 0 FFAELO CCCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000189980768 509866600 /nfs/dbraw/zinc/86/66/00/509866600.db2.gz GVUOQQPMILWNMX-KRWDZBQOSA-N 1 2 363.502 2.577 10 0 FFAELO COc1cccc(-c2nc(CN3CC[C@@H]([NH+]4CCOCC4)C3)cs2)c1 ZINC000173946399 509868166 /nfs/dbraw/zinc/86/81/66/509868166.db2.gz MCBJGBYETQZNPE-QGZVFWFLSA-N 1 2 359.495 2.725 10 0 FFAELO COC(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000173950411 509871422 /nfs/dbraw/zinc/87/14/22/509871422.db2.gz WSKPUNHQTZACKO-ZDUSSCGKSA-N 1 2 350.378 2.545 10 0 FFAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000245200221 509879375 /nfs/dbraw/zinc/87/93/75/509879375.db2.gz JARIYGAGILCZCB-PMACEKPBSA-N 1 2 373.541 2.923 10 0 FFAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000245200221 509879384 /nfs/dbraw/zinc/87/93/84/509879384.db2.gz JARIYGAGILCZCB-PMACEKPBSA-N 1 2 373.541 2.923 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000245201915 509883307 /nfs/dbraw/zinc/88/33/07/509883307.db2.gz VLOPGKYXVPSGCW-HZPDHXFCSA-N 1 2 361.486 2.793 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000245201915 509883309 /nfs/dbraw/zinc/88/33/09/509883309.db2.gz VLOPGKYXVPSGCW-HZPDHXFCSA-N 1 2 361.486 2.793 10 0 FFAELO COC(=O)c1scc(C)c1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000186858284 509915651 /nfs/dbraw/zinc/91/56/51/509915651.db2.gz OJNMNXFLSZCSOY-GFCCVEGCSA-N 1 2 360.439 2.639 10 0 FFAELO CCCC[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@@H](C)C1)C(=O)OC ZINC000245441341 509935420 /nfs/dbraw/zinc/93/54/20/509935420.db2.gz HHDACWOLPJLOIX-HRCADAONSA-N 1 2 354.516 2.831 10 0 FFAELO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000183792367 509976153 /nfs/dbraw/zinc/97/61/53/509976153.db2.gz ZTUWGYSYTYHZEI-HNNXBMFYSA-N 1 2 361.453 2.942 10 0 FFAELO CC(=O)N(c1nc(C[N@@H+]2CCCN(c3ccccn3)CC2)cs1)C1CC1 ZINC000183822818 509993791 /nfs/dbraw/zinc/99/37/91/509993791.db2.gz CTKPWEKLTQBRNG-UHFFFAOYSA-N 1 2 371.510 2.766 10 0 FFAELO CC(=O)N(c1nc(C[N@H+]2CCCN(c3ccccn3)CC2)cs1)C1CC1 ZINC000183822818 509993796 /nfs/dbraw/zinc/99/37/96/509993796.db2.gz CTKPWEKLTQBRNG-UHFFFAOYSA-N 1 2 371.510 2.766 10 0 FFAELO Cc1ccc([C@H](CNC(=O)c2c[nH]nc2C(C)C)[NH+]2CCOCC2)s1 ZINC000193669508 510013017 /nfs/dbraw/zinc/01/30/17/510013017.db2.gz FBCDYBVPRAAGPG-HNNXBMFYSA-N 1 2 362.499 2.706 10 0 FFAELO COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177365182 510016211 /nfs/dbraw/zinc/01/62/11/510016211.db2.gz ZYZZVLMXFJWJLL-HUUCEWRRSA-N 1 2 358.442 2.836 10 0 FFAELO C[C@H](CNC(=O)CCCc1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000183947305 510051355 /nfs/dbraw/zinc/05/13/55/510051355.db2.gz ZAPKVSXYAZEASR-CQSZACIVSA-N 1 2 358.404 2.865 10 0 FFAELO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)sc1C ZINC000171404086 510136092 /nfs/dbraw/zinc/13/60/92/510136092.db2.gz BVRLOSKBASCTGE-CYBMUJFWSA-N 1 2 363.487 2.599 10 0 FFAELO CCc1nc(NC(=O)C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)sc1C ZINC000171404086 510136097 /nfs/dbraw/zinc/13/60/97/510136097.db2.gz BVRLOSKBASCTGE-CYBMUJFWSA-N 1 2 363.487 2.599 10 0 FFAELO CCCc1noc(C[N@@H+]2CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000190494217 510165717 /nfs/dbraw/zinc/16/57/17/510165717.db2.gz CELRMCAXAQJGHI-OAHLLOKOSA-N 1 2 366.506 2.650 10 0 FFAELO CCCc1noc(C[N@H+]2CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000190494217 510165721 /nfs/dbraw/zinc/16/57/21/510165721.db2.gz CELRMCAXAQJGHI-OAHLLOKOSA-N 1 2 366.506 2.650 10 0 FFAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000245860073 510173645 /nfs/dbraw/zinc/17/36/45/510173645.db2.gz QSLCVHRBVFEOAD-CJNGLKHVSA-N 1 2 370.453 2.862 10 0 FFAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000245860073 510173653 /nfs/dbraw/zinc/17/36/53/510173653.db2.gz QSLCVHRBVFEOAD-CJNGLKHVSA-N 1 2 370.453 2.862 10 0 FFAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000174558019 510177534 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CCCn1c(C)nnc1C[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000157139552 508528326 /nfs/dbraw/zinc/52/83/26/508528326.db2.gz CNTFZQYUXFLABW-MRXNPFEDSA-N 1 2 363.531 2.563 10 0 FFAELO Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000128196519 508561630 /nfs/dbraw/zinc/56/16/30/508561630.db2.gz OVYRCIGVUPSKTL-GXTWGEPZSA-N 1 2 363.343 2.694 10 0 FFAELO CCOc1cccc(C[NH+]2CCN(C[C@H](O)COc3ccccc3)CC2)c1 ZINC000122672708 508570675 /nfs/dbraw/zinc/57/06/75/508570675.db2.gz FDWYWMURXPBABC-FQEVSTJZSA-N 1 2 370.493 2.643 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)CCC(=O)c2cc(C)ccc2C)C[C@@H]1C ZINC000117281370 508587892 /nfs/dbraw/zinc/58/78/92/508587892.db2.gz NSUHIZOFGFXSSS-SFHVURJKSA-N 1 2 360.498 2.836 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)CCC(=O)c2cc(C)ccc2C)C[C@@H]1C ZINC000117281370 508587896 /nfs/dbraw/zinc/58/78/96/508587896.db2.gz NSUHIZOFGFXSSS-SFHVURJKSA-N 1 2 360.498 2.836 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2csc(-c3ccccc3)n2)C[C@H]1C ZINC000117283039 508587991 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FFAELO Cn1nccc1C1CC[NH+](CC(=O)Nc2nc(-c3ccco3)cs2)CC1 ZINC000195504116 509197041 /nfs/dbraw/zinc/19/70/41/509197041.db2.gz PGFZXPZUCQNRLJ-UHFFFAOYSA-N 1 2 371.466 2.955 10 0 FFAELO COc1ccc(F)c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1OC ZINC000188660377 509197258 /nfs/dbraw/zinc/19/72/58/509197258.db2.gz MDFNURWDOCXIRK-UHFFFAOYSA-N 1 2 359.401 2.590 10 0 FFAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)NCc1ccc(OC(F)F)cc1 ZINC000195505379 509200516 /nfs/dbraw/zinc/20/05/16/509200516.db2.gz XXLIREUDPSFGIF-UHFFFAOYSA-N 1 2 364.396 2.507 10 0 FFAELO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172741975 509206279 /nfs/dbraw/zinc/20/62/79/509206279.db2.gz OTTYWYLQWORILN-AEFFLSMTSA-N 1 2 360.498 2.685 10 0 FFAELO O=C(c1cc(C2CC2)nc2ccccc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172757650 509216564 /nfs/dbraw/zinc/21/65/64/509216564.db2.gz XICTVROKVLKABB-INIZCTEOSA-N 1 2 351.450 2.659 10 0 FFAELO O=C(c1cccnc1Nc1ccccc1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172760948 509219222 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NPIVPOSUQGYCBV-CABCVRRESA-N 1 2 355.490 2.855 10 0 FFAELO C[C@H]1CN(Cc2coc(-c3c(F)cccc3F)n2)C[C@H]1[NH+]1CCOCC1 ZINC000246604862 510579205 /nfs/dbraw/zinc/57/92/05/510579205.db2.gz HLGCHAHRIHFWPI-SUMWQHHRSA-N 1 2 363.408 2.772 10 0 FFAELO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000246625885 510590025 /nfs/dbraw/zinc/59/00/25/510590025.db2.gz CGQFMTOTULQCCW-PKOBYXMFSA-N 1 2 374.506 2.968 10 0 FFAELO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000246625885 510590030 /nfs/dbraw/zinc/59/00/30/510590030.db2.gz CGQFMTOTULQCCW-PKOBYXMFSA-N 1 2 374.506 2.968 10 0 FFAELO COC(=O)[C@@H](c1ccccc1)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000246625885 510590036 /nfs/dbraw/zinc/59/00/36/510590036.db2.gz CGQFMTOTULQCCW-PKOBYXMFSA-N 1 2 374.506 2.968 10 0 FFAELO O[C@H](COc1ccccc1F)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246629515 510591590 /nfs/dbraw/zinc/59/15/90/510591590.db2.gz JADDDLXQXSDSRL-SUNYJGFJSA-N 1 2 367.367 2.652 10 0 FFAELO O[C@H](COc1ccccc1F)C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246629515 510591597 /nfs/dbraw/zinc/59/15/97/510591597.db2.gz JADDDLXQXSDSRL-SUNYJGFJSA-N 1 2 367.367 2.652 10 0 FFAELO C[C@@H](NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)c1ccccn1 ZINC000178444641 510606427 /nfs/dbraw/zinc/60/64/27/510606427.db2.gz RQCWODBVVNPYDQ-NVXWUHKLSA-N 1 2 374.510 2.919 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C(C)(C)c2ccccc2C)CC1 ZINC000172223822 510608119 /nfs/dbraw/zinc/60/81/19/510608119.db2.gz JBNSMLJDSNBABB-UHFFFAOYSA-N 1 2 368.525 2.967 10 0 FFAELO CC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188134433 510610865 /nfs/dbraw/zinc/61/08/65/510610865.db2.gz OBENWCGEVRPDLO-WMZOPIPTSA-N 1 2 358.463 2.597 10 0 FFAELO CC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188134433 510610872 /nfs/dbraw/zinc/61/08/72/510610872.db2.gz OBENWCGEVRPDLO-WMZOPIPTSA-N 1 2 358.463 2.597 10 0 FFAELO C[C@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1nc(Cc2ccccc2)no1 ZINC000175367659 510612006 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CC[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)Oc1cccc(F)c1 ZINC000175760003 510776408 /nfs/dbraw/zinc/77/64/08/510776408.db2.gz PAQBAXQKGALUOV-CVEARBPZSA-N 1 2 360.433 2.846 10 0 FFAELO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191674286 510782286 /nfs/dbraw/zinc/78/22/86/510782286.db2.gz DCHPHCACJADLHX-NEPJUHHUSA-N 1 2 362.428 2.739 10 0 FFAELO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191674286 510782291 /nfs/dbraw/zinc/78/22/91/510782291.db2.gz DCHPHCACJADLHX-NEPJUHHUSA-N 1 2 362.428 2.739 10 0 FFAELO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000246990128 510786370 /nfs/dbraw/zinc/78/63/70/510786370.db2.gz NCICGPBOCPFGKX-UXLLHSPISA-N 1 2 366.889 2.595 10 0 FFAELO COc1ccc(C(=O)NC(=O)C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000195330928 510787944 /nfs/dbraw/zinc/78/79/44/510787944.db2.gz HQGGDFJLFVCLMJ-HNNXBMFYSA-N 1 2 373.478 2.596 10 0 FFAELO COc1ccc(C(=O)NC(=O)C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000195330928 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O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@@H]1CSC[NH2+]1 ZINC000160853309 509039822 /nfs/dbraw/zinc/03/98/22/509039822.db2.gz ALLVVYMSADWIRF-QMHKHESXSA-N 1 2 352.525 2.869 10 0 FFAELO CCc1noc(CC)c1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120697527 509047621 /nfs/dbraw/zinc/04/76/21/509047621.db2.gz RYRCIGIAUJWJQF-CQSZACIVSA-N 1 2 359.474 2.697 10 0 FFAELO CCCn1c(C)c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c2cc(OC)ccc21 ZINC000151780818 509081754 /nfs/dbraw/zinc/08/17/54/509081754.db2.gz RHJOJEOVAQQXCR-RTBURBONSA-N 1 2 371.481 2.523 10 0 FFAELO CCCn1c(C)c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cc(OC)ccc21 ZINC000151780818 509081756 /nfs/dbraw/zinc/08/17/56/509081756.db2.gz RHJOJEOVAQQXCR-RTBURBONSA-N 1 2 371.481 2.523 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000121008887 509109307 /nfs/dbraw/zinc/10/93/07/509109307.db2.gz MSGVBFXOBFNWAG-RTBURBONSA-N 1 2 358.530 2.898 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151987111 509125066 /nfs/dbraw/zinc/12/50/66/509125066.db2.gz HIDWGUYEBPHPBU-MGPQQGTHSA-N 1 2 352.837 2.562 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151987111 509125068 /nfs/dbraw/zinc/12/50/68/509125068.db2.gz HIDWGUYEBPHPBU-MGPQQGTHSA-N 1 2 352.837 2.562 10 0 FFAELO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503741 509196836 /nfs/dbraw/zinc/19/68/36/509196836.db2.gz FGFNCMRSSUENAJ-UHFFFAOYSA-N 1 2 362.861 2.900 10 0 FFAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)Nc1ccc(Br)cc1 ZINC000195506911 509200172 /nfs/dbraw/zinc/20/01/72/509200172.db2.gz IBKZSYFELNEDEI-UHFFFAOYSA-N 1 2 363.259 2.990 10 0 FFAELO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172742191 509205829 /nfs/dbraw/zinc/20/58/29/509205829.db2.gz JMAFZQYDVBACLU-MRXNPFEDSA-N 1 2 353.466 2.593 10 0 FFAELO O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172752008 509212642 /nfs/dbraw/zinc/21/26/42/509212642.db2.gz VKYPCGGDKIDSGF-FQEVSTJZSA-N 1 2 350.462 2.752 10 0 FFAELO O=C(c1cc(C2CC2)nc2ccccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172757655 509216505 /nfs/dbraw/zinc/21/65/05/509216505.db2.gz XICTVROKVLKABB-MRXNPFEDSA-N 1 2 351.450 2.659 10 0 FFAELO O=C(c1cc(-c2cccc(Cl)c2)on1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172756684 509217732 /nfs/dbraw/zinc/21/77/32/509217732.db2.gz NNAFSNCSYIGZBI-OAHLLOKOSA-N 1 2 361.829 2.542 10 0 FFAELO O=C(CCCCc1nc2ccccc2s1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172761463 509218926 /nfs/dbraw/zinc/21/89/26/509218926.db2.gz DNOKSUHKYPECRP-INIZCTEOSA-N 1 2 373.522 2.942 10 0 FFAELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c2ccccc2)[nH]1 ZINC000162623133 509265771 /nfs/dbraw/zinc/26/57/71/509265771.db2.gz ISGOMSCLUFOJRJ-FZKQIMNGSA-N 1 2 360.425 2.529 10 0 FFAELO Cn1cc([C@@H]2CC[N@H+](Cc3nnc(C(=O)Nc4ccccc4)s3)C2)cn1 ZINC000182489301 509266085 /nfs/dbraw/zinc/26/60/85/509266085.db2.gz CQGANDPFOASOKI-CYBMUJFWSA-N 1 2 368.466 2.513 10 0 FFAELO Cn1cc([C@@H]2CC[N@@H+](Cc3nnc(C(=O)Nc4ccccc4)s3)C2)cn1 ZINC000182489301 509266093 /nfs/dbraw/zinc/26/60/93/509266093.db2.gz CQGANDPFOASOKI-CYBMUJFWSA-N 1 2 368.466 2.513 10 0 FFAELO O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248359034 509275942 /nfs/dbraw/zinc/27/59/42/509275942.db2.gz RMIPCGCFCDIZDH-JKSUJKDBSA-N 1 2 358.404 2.615 10 0 FFAELO O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000248359034 509275948 /nfs/dbraw/zinc/27/59/48/509275948.db2.gz RMIPCGCFCDIZDH-JKSUJKDBSA-N 1 2 358.404 2.615 10 0 FFAELO CC(C)OCCCC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000182507065 509276332 /nfs/dbraw/zinc/27/63/32/509276332.db2.gz DOZCARQUOPDWRB-HOTGVXAUSA-N 1 2 354.516 2.831 10 0 FFAELO CC(C)OCCCC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000182507065 509276339 /nfs/dbraw/zinc/27/63/39/509276339.db2.gz DOZCARQUOPDWRB-HOTGVXAUSA-N 1 2 354.516 2.831 10 0 FFAELO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000192027136 509303754 /nfs/dbraw/zinc/30/37/54/509303754.db2.gz PTQUFPGXQPJLFH-YOEHRIQHSA-N 1 2 362.861 2.948 10 0 FFAELO CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000192027136 509303763 /nfs/dbraw/zinc/30/37/63/509303763.db2.gz PTQUFPGXQPJLFH-YOEHRIQHSA-N 1 2 362.861 2.948 10 0 FFAELO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000248537577 509354887 /nfs/dbraw/zinc/35/48/87/509354887.db2.gz HHWZHJYQTPPXRZ-CABCVRRESA-N 1 2 354.376 2.954 10 0 FFAELO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000248537577 509354895 /nfs/dbraw/zinc/35/48/95/509354895.db2.gz HHWZHJYQTPPXRZ-CABCVRRESA-N 1 2 354.376 2.954 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000248632678 509403813 /nfs/dbraw/zinc/40/38/13/509403813.db2.gz IGQWYAXEEIZLAH-CJNGLKHVSA-N 1 2 356.413 2.966 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000248632678 509403819 /nfs/dbraw/zinc/40/38/19/509403819.db2.gz IGQWYAXEEIZLAH-CJNGLKHVSA-N 1 2 356.413 2.966 10 0 FFAELO COc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)ccc1OCc1ccccc1 ZINC000189087451 509405557 /nfs/dbraw/zinc/40/55/57/509405557.db2.gz NFCDQNCTAICOEK-INIZCTEOSA-N 1 2 354.450 2.985 10 0 FFAELO COc1cc(C[N@H+]2CCCNC(=O)[C@@H]2C)ccc1OCc1ccccc1 ZINC000189087451 509405563 /nfs/dbraw/zinc/40/55/63/509405563.db2.gz NFCDQNCTAICOEK-INIZCTEOSA-N 1 2 354.450 2.985 10 0 FFAELO O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182748185 509408188 /nfs/dbraw/zinc/40/81/88/509408188.db2.gz WMXBABIPGQMTFV-GDBMZVCRSA-N 1 2 350.850 2.563 10 0 FFAELO O[C@@H](COCc1ccccc1Cl)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182748185 509408193 /nfs/dbraw/zinc/40/81/93/509408193.db2.gz WMXBABIPGQMTFV-GDBMZVCRSA-N 1 2 350.850 2.563 10 0 FFAELO C[N@@H+]1CC[C@H](NC(=O)c2cnc(Cl)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000248645220 509413104 /nfs/dbraw/zinc/41/31/04/509413104.db2.gz FZIIGFJGUJSCPU-SWLSCSKDSA-N 1 2 352.772 2.583 10 0 FFAELO C[N@H+]1CC[C@H](NC(=O)c2cnc(Cl)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000248645220 509413111 /nfs/dbraw/zinc/41/31/11/509413111.db2.gz FZIIGFJGUJSCPU-SWLSCSKDSA-N 1 2 352.772 2.583 10 0 FFAELO Cc1cccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1F ZINC000182802518 509432499 /nfs/dbraw/zinc/43/24/99/509432499.db2.gz QGHZRDSSXHNFKL-UHFFFAOYSA-N 1 2 358.417 2.514 10 0 FFAELO Cc1cccn2cc(CNC(=O)[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)[nH+]c12 ZINC000173180476 509441098 /nfs/dbraw/zinc/44/10/98/509441098.db2.gz NWHCSOFKDLMBLW-CABCVRRESA-N 1 2 372.469 2.952 10 0 FFAELO O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1)C1CC1 ZINC000176343064 509455610 /nfs/dbraw/zinc/45/56/10/509455610.db2.gz VMDQBKIYTXJGFQ-QGZVFWFLSA-N 1 2 353.426 2.928 10 0 FFAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000186064248 509506684 /nfs/dbraw/zinc/50/66/84/509506684.db2.gz YBOLTHCPPKDXPA-CQSZACIVSA-N 1 2 368.462 2.642 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2cccc(Cl)c2)nc[nH+]1 ZINC000173287475 509506771 /nfs/dbraw/zinc/50/67/71/509506771.db2.gz HWUVUFPGYJOCLI-OAHLLOKOSA-N 1 2 374.876 2.640 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2cccc(Cl)c2)[nH+]cn1 ZINC000173287475 509506776 /nfs/dbraw/zinc/50/67/76/509506776.db2.gz HWUVUFPGYJOCLI-OAHLLOKOSA-N 1 2 374.876 2.640 10 0 FFAELO C[C@@H](NC(=O)NCCCOC[C@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173298260 509514105 /nfs/dbraw/zinc/51/41/05/509514105.db2.gz IWPWPUKIPBVKGE-IAGOWNOFSA-N 1 2 372.469 2.676 10 0 FFAELO Cn1nccc1C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186105055 509524271 /nfs/dbraw/zinc/52/42/71/509524271.db2.gz ADUUVVADLUQKBZ-MRXNPFEDSA-N 1 2 358.243 2.852 10 0 FFAELO O=C1[C@@H]([N@@H+]2CCCN(c3ccccn3)CC2)CCN1c1c(F)cccc1F ZINC000248883921 509526545 /nfs/dbraw/zinc/52/65/45/509526545.db2.gz PMDLVCWYHMUADU-KRWDZBQOSA-N 1 2 372.419 2.677 10 0 FFAELO O=C1[C@@H]([N@H+]2CCCN(c3ccccn3)CC2)CCN1c1c(F)cccc1F ZINC000248883921 509526554 /nfs/dbraw/zinc/52/65/54/509526554.db2.gz PMDLVCWYHMUADU-KRWDZBQOSA-N 1 2 372.419 2.677 10 0 FFAELO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000248881972 509526868 /nfs/dbraw/zinc/52/68/68/509526868.db2.gz PTQUFPGXQPJLFH-RHSMWYFYSA-N 1 2 362.861 2.948 10 0 FFAELO CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000248881972 509526874 /nfs/dbraw/zinc/52/68/74/509526874.db2.gz PTQUFPGXQPJLFH-RHSMWYFYSA-N 1 2 362.861 2.948 10 0 FFAELO O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248959894 509555736 /nfs/dbraw/zinc/55/57/36/509555736.db2.gz GYXGQRQKIOEWOW-VAMGGRTRSA-N 1 2 357.498 2.514 10 0 FFAELO COc1cccc(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000176532264 509566720 /nfs/dbraw/zinc/56/67/20/509566720.db2.gz UOGJRWUTQJBQNM-QGZVFWFLSA-N 1 2 360.479 2.902 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCOCC2)s1 ZINC000176547396 509576745 /nfs/dbraw/zinc/57/67/45/509576745.db2.gz FVDWDLBCPGZBMT-GOSISDBHSA-N 1 2 374.506 2.933 10 0 FFAELO CCc1ccc(CCC(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000173414398 509582350 /nfs/dbraw/zinc/58/23/50/509582350.db2.gz WELIMWKIICNVJI-GOSISDBHSA-N 1 2 367.497 2.799 10 0 FFAELO CCc1ccc(CCC(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)cc1 ZINC000173414398 509582354 /nfs/dbraw/zinc/58/23/54/509582354.db2.gz WELIMWKIICNVJI-GOSISDBHSA-N 1 2 367.497 2.799 10 0 FFAELO CCCCO[C@H](C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176563826 509586448 /nfs/dbraw/zinc/58/64/48/509586448.db2.gz ZUXLCYGKPXAWOI-CVEARBPZSA-N 1 2 354.516 2.751 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccc(C)s2)nc[nH+]1 ZINC000173421467 509588586 /nfs/dbraw/zinc/58/85/86/509588586.db2.gz CIYCTPSCKJWFAC-AWEZNQCLSA-N 1 2 374.514 2.699 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccc(C)s2)[nH+]cn1 ZINC000173421467 509588592 /nfs/dbraw/zinc/58/85/92/509588592.db2.gz CIYCTPSCKJWFAC-AWEZNQCLSA-N 1 2 374.514 2.699 10 0 FFAELO COc1ccccc1CC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000176591960 509601411 /nfs/dbraw/zinc/60/14/11/509601411.db2.gz NRWOUAGUMZJADV-RDJZCZTQSA-N 1 2 374.506 2.877 10 0 FFAELO COc1ccccc1CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000176591960 509601421 /nfs/dbraw/zinc/60/14/21/509601421.db2.gz NRWOUAGUMZJADV-RDJZCZTQSA-N 1 2 374.506 2.877 10 0 FFAELO CC(C)c1nnc2n1C[C@H](Nc1[nH+]cnc3c1cnn3C(C)(C)C)CC2 ZINC000179771162 509615042 /nfs/dbraw/zinc/61/50/42/509615042.db2.gz BWYQJHOBKULLGK-GFCCVEGCSA-N 1 2 354.462 2.723 10 0 FFAELO COc1ccnc(NC2CC[NH+](Cc3nc(C)c4ccccc4n3)CC2)n1 ZINC000192855871 509674746 /nfs/dbraw/zinc/67/47/46/509674746.db2.gz UGBFPYGLNLMLRC-UHFFFAOYSA-N 1 2 364.453 2.813 10 0 FFAELO O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186449901 509714090 /nfs/dbraw/zinc/71/40/90/509714090.db2.gz KDGIEVURYLVPRD-UHFFFAOYSA-N 1 2 374.444 2.789 10 0 FFAELO Cc1nnc([C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CCO2)[nH]1 ZINC000173679560 509717398 /nfs/dbraw/zinc/71/73/98/509717398.db2.gz UUCZZUASHFCKNV-CQSZACIVSA-N 1 2 356.348 2.628 10 0 FFAELO Cc1nnc([C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CCO2)[nH]1 ZINC000173679560 509717404 /nfs/dbraw/zinc/71/74/04/509717404.db2.gz UUCZZUASHFCKNV-CQSZACIVSA-N 1 2 356.348 2.628 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000176837766 509717579 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Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccccc3)CCO2)n1 ZINC000180131245 509769443 /nfs/dbraw/zinc/76/94/43/509769443.db2.gz GCWIQVMPFRGTGM-FQEVSTJZSA-N 1 2 365.481 2.801 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccccc3)CCO2)n1 ZINC000180131245 509769450 /nfs/dbraw/zinc/76/94/50/509769450.db2.gz GCWIQVMPFRGTGM-FQEVSTJZSA-N 1 2 365.481 2.801 10 0 FFAELO O=C(Nc1ccc(OC2CCCC2)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173795804 509782422 /nfs/dbraw/zinc/78/24/22/509782422.db2.gz KTBGIMVIUSHUHG-KRWDZBQOSA-N 1 2 359.470 2.946 10 0 FFAELO Cc1nc(-c2ccccc2)ccc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173854715 509819294 /nfs/dbraw/zinc/81/92/94/509819294.db2.gz KSWQUJQLEPTNAW-IERDGZPVSA-N 1 2 365.477 2.850 10 0 FFAELO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000177021006 509822794 /nfs/dbraw/zinc/82/27/94/509822794.db2.gz PGROTJMIWDOYRI-MRXNPFEDSA-N 1 2 364.405 2.982 10 0 FFAELO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189947415 509847295 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369.490 2.896 10 0 FFAELO CCC(CC)n1nc(C)cc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000180460416 509936676 /nfs/dbraw/zinc/93/66/76/509936676.db2.gz JAVHXVAHEFDJCK-UHFFFAOYSA-N 1 2 372.517 2.634 10 0 FFAELO CCC(CC)n1nc(C)cc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000180460416 509936682 /nfs/dbraw/zinc/93/66/82/509936682.db2.gz JAVHXVAHEFDJCK-UHFFFAOYSA-N 1 2 372.517 2.634 10 0 FFAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000190100606 509938042 /nfs/dbraw/zinc/93/80/42/509938042.db2.gz YTZBJEDUEANEAY-OTWHNJEPSA-N 1 2 373.453 2.898 10 0 FFAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000190100606 509938049 /nfs/dbraw/zinc/93/80/49/509938049.db2.gz YTZBJEDUEANEAY-OTWHNJEPSA-N 1 2 373.453 2.898 10 0 FFAELO C[C@H]1CN(C(=O)Nc2ncc(-c3ccccc3)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000177233631 509951397 /nfs/dbraw/zinc/95/13/97/509951397.db2.gz UMJYFNWUROZMOT-HOCLYGCPSA-N 1 2 372.494 2.995 10 0 FFAELO 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CC(C)Oc1ccc2ccccc2c1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000183929833 510044408 /nfs/dbraw/zinc/04/44/08/510044408.db2.gz ABXAZDGBCIXLNL-KRWDZBQOSA-N 1 2 371.481 2.757 10 0 FFAELO CC(C)Oc1ccc2ccccc2c1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000183929833 510044412 /nfs/dbraw/zinc/04/44/12/510044412.db2.gz ABXAZDGBCIXLNL-KRWDZBQOSA-N 1 2 371.481 2.757 10 0 FFAELO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171287945 510056307 /nfs/dbraw/zinc/05/63/07/510056307.db2.gz AUOSNCHEOPGTSL-JTQLQIEISA-N 1 2 373.400 2.684 10 0 FFAELO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171287945 510056313 /nfs/dbraw/zinc/05/63/13/510056313.db2.gz AUOSNCHEOPGTSL-JTQLQIEISA-N 1 2 373.400 2.684 10 0 FFAELO C[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCCO1 ZINC000190321059 510062868 /nfs/dbraw/zinc/06/28/68/510062868.db2.gz YTYIALWAXPDGNL-CXAGYDPISA-N 1 2 351.878 2.565 10 0 FFAELO C[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCCO1 ZINC000190321059 510062873 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360.479 2.954 10 0 FFAELO Cc1ccc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)cc1O ZINC000245738991 510117070 /nfs/dbraw/zinc/11/70/70/510117070.db2.gz RFXGPGYYDSJHTM-GOEBONIOSA-N 1 2 360.479 2.954 10 0 FFAELO C[C@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000193938938 510138798 /nfs/dbraw/zinc/13/87/98/510138798.db2.gz NPSOZLJLXWDVDL-LBPRGKRZSA-N 1 2 370.359 2.966 10 0 FFAELO Cc1cc(N2CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)n[nH]1 ZINC000187254478 510151797 /nfs/dbraw/zinc/15/17/97/510151797.db2.gz BKTJKQQNDYRCNW-UHFFFAOYSA-N 1 2 359.380 2.974 10 0 FFAELO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)c[nH+]1 ZINC000171461140 510173175 /nfs/dbraw/zinc/17/31/75/510173175.db2.gz GLGBWKNZGNWLTK-QGZVFWFLSA-N 1 2 356.474 2.708 10 0 FFAELO COc1cc[nH+]c(CN2CCN(c3nc4cc(C)ccc4o3)CC2)c1OC ZINC000190521947 510183186 /nfs/dbraw/zinc/18/31/86/510183186.db2.gz FZKCIMWRMPLDCO-UHFFFAOYSA-N 1 2 368.437 2.871 10 0 FFAELO COc1ccnc(C[NH+]2CCN(c3nc4cc(C)ccc4o3)CC2)c1OC ZINC000190521947 510183191 /nfs/dbraw/zinc/18/31/91/510183191.db2.gz FZKCIMWRMPLDCO-UHFFFAOYSA-N 1 2 368.437 2.871 10 0 FFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000184238228 510209540 /nfs/dbraw/zinc/20/95/40/510209540.db2.gz AIZUVXYLLPCGBV-HNAYVOBHSA-N 1 2 373.497 2.713 10 0 FFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000184238228 510209549 /nfs/dbraw/zinc/20/95/49/510209549.db2.gz AIZUVXYLLPCGBV-HNAYVOBHSA-N 1 2 373.497 2.713 10 0 FFAELO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)N(Cc1ccco1)c1ccccc1 ZINC000171528073 510209779 /nfs/dbraw/zinc/20/97/79/510209779.db2.gz BNEJFGCXCLCAMU-GOSISDBHSA-N 1 2 365.437 2.741 10 0 FFAELO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)N(Cc1ccco1)c1ccccc1 ZINC000171528073 510209791 /nfs/dbraw/zinc/20/97/91/510209791.db2.gz BNEJFGCXCLCAMU-GOSISDBHSA-N 1 2 365.437 2.741 10 0 FFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000184259289 510224313 /nfs/dbraw/zinc/22/43/13/510224313.db2.gz RFPJQXLCBPXFAH-IBGZPJMESA-N 1 2 356.470 2.929 10 0 FFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000184259289 510224316 /nfs/dbraw/zinc/22/43/16/510224316.db2.gz RFPJQXLCBPXFAH-IBGZPJMESA-N 1 2 356.470 2.929 10 0 FFAELO CCc1ccnc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000245997057 510243408 /nfs/dbraw/zinc/24/34/08/510243408.db2.gz FJYPWOCZRYBXIG-YOEHRIQHSA-N 1 2 359.495 2.897 10 0 FFAELO CCc1ccnc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c1 ZINC000245997057 510243414 /nfs/dbraw/zinc/24/34/14/510243414.db2.gz FJYPWOCZRYBXIG-YOEHRIQHSA-N 1 2 359.495 2.897 10 0 FFAELO CN(C)c1nc2sc(C(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cc2s1 ZINC000177772698 510245230 /nfs/dbraw/zinc/24/52/30/510245230.db2.gz HXXDWGYJMCHSFM-NSHDSACASA-N 1 2 361.496 2.925 10 0 FFAELO Cc1c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cnn1-c1ccc(F)cc1 ZINC000177800646 510260262 /nfs/dbraw/zinc/26/02/62/510260262.db2.gz PJGZMAOIIIONPH-QGZVFWFLSA-N 1 2 353.401 2.821 10 0 FFAELO C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000246049358 510264639 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C[C@@H]1CCCN(c2cc(N3CCC(Nc4cccnn4)CC3)nc[nH+]2)C1 ZINC000174731610 510277445 /nfs/dbraw/zinc/27/74/45/510277445.db2.gz RVMGMBRQDAPGLL-OAHLLOKOSA-N 1 2 353.474 2.584 10 0 FFAELO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3nccs3)C2)c1C ZINC000171662668 510291413 /nfs/dbraw/zinc/29/14/13/510291413.db2.gz UUOILMUPYATLNG-IRXDYDNUSA-N 1 2 362.495 2.882 10 0 FFAELO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCO[C@H](c3nccs3)C2)c1C ZINC000171662668 510291419 /nfs/dbraw/zinc/29/14/19/510291419.db2.gz UUOILMUPYATLNG-IRXDYDNUSA-N 1 2 362.495 2.882 10 0 FFAELO CCn1cc([C@@H]2C[N@H+](Cc3cc(=O)oc4c(C)c(O)ccc34)CCO2)cn1 ZINC000190804554 510351762 /nfs/dbraw/zinc/35/17/62/510351762.db2.gz WFNGJODPDDKLBA-SFHVURJKSA-N 1 2 369.421 2.597 10 0 FFAELO CCn1cc([C@@H]2C[N@@H+](Cc3cc(=O)oc4c(C)c(O)ccc34)CCO2)cn1 ZINC000190804554 510351768 /nfs/dbraw/zinc/35/17/68/510351768.db2.gz WFNGJODPDDKLBA-SFHVURJKSA-N 1 2 369.421 2.597 10 0 FFAELO Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)n1 ZINC000187666769 510377786 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CCC[C@H]1CCc2nc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)sc2C1 ZINC000194557566 510422677 /nfs/dbraw/zinc/42/26/77/510422677.db2.gz GCYRSHLXNLBWBL-STQMWFEESA-N 1 2 352.504 2.500 10 0 FFAELO CCC[C@@H]1CCc2nc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)sc2C1 ZINC000194557524 510422864 /nfs/dbraw/zinc/42/28/64/510422864.db2.gz GCYRSHLXNLBWBL-CHWSQXEVSA-N 1 2 352.504 2.500 10 0 FFAELO CCC[C@@H]1CCc2nc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)sc2C1 ZINC000194557524 510422872 /nfs/dbraw/zinc/42/28/72/510422872.db2.gz GCYRSHLXNLBWBL-CHWSQXEVSA-N 1 2 352.504 2.500 10 0 FFAELO CCS(=O)(=O)CCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000190937627 510424606 /nfs/dbraw/zinc/42/46/06/510424606.db2.gz JXCSQQUXWQUBAA-WMLDXEAASA-N 1 2 361.454 2.678 10 0 FFAELO CCS(=O)(=O)CCCCC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000190937627 510424610 /nfs/dbraw/zinc/42/46/10/510424610.db2.gz JXCSQQUXWQUBAA-WMLDXEAASA-N 1 2 361.454 2.678 10 0 FFAELO CCOCCN1CC[N@@H+]([C@H](C)C(=O)N(CC)C2CCCCC2)C[C@@H]1CC ZINC000246386061 510460348 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PQLYRPHYOVYURE-HXUWFJFHSA-N 1 2 367.449 2.539 10 0 FFAELO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191128462 510517569 /nfs/dbraw/zinc/51/75/69/510517569.db2.gz PQLYRPHYOVYURE-HXUWFJFHSA-N 1 2 367.449 2.539 10 0 FFAELO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191146964 510524128 /nfs/dbraw/zinc/52/41/28/510524128.db2.gz PJYFBDXWCJHEAX-INIZCTEOSA-N 1 2 351.450 2.845 10 0 FFAELO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191146964 510524135 /nfs/dbraw/zinc/52/41/35/510524135.db2.gz PJYFBDXWCJHEAX-INIZCTEOSA-N 1 2 351.450 2.845 10 0 FFAELO Cc1nc(CN2CCC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)CC2)no1 ZINC000175194318 510526256 /nfs/dbraw/zinc/52/62/56/510526256.db2.gz RFTNQQCGSSRRMY-UHFFFAOYSA-N 1 2 371.416 2.880 10 0 FFAELO Cc1nc(CN2CCC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)CC2)no1 ZINC000175194318 510526262 /nfs/dbraw/zinc/52/62/62/510526262.db2.gz RFTNQQCGSSRRMY-UHFFFAOYSA-N 1 2 371.416 2.880 10 0 FFAELO C[C@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1[NH+]1CCOCC1 ZINC000246515937 510532986 /nfs/dbraw/zinc/53/29/86/510532986.db2.gz QZSKALZVLVAOSQ-XJKSGUPXSA-N 1 2 362.861 2.543 10 0 FFAELO COc1ccc(-c2nc(CN3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)co2)cc1 ZINC000246544710 510548329 /nfs/dbraw/zinc/54/83/29/510548329.db2.gz SZFIRIDZQGZXSN-HNAYVOBHSA-N 1 2 357.454 2.503 10 0 FFAELO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178357754 510564243 /nfs/dbraw/zinc/56/42/43/510564243.db2.gz HKEOYDJLSXHSND-HNAYVOBHSA-N 1 2 364.449 2.795 10 0 FFAELO O[C@H](COc1ccccc1F)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246629500 510591847 /nfs/dbraw/zinc/59/18/47/510591847.db2.gz JADDDLXQXSDSRL-DEYYWGMASA-N 1 2 367.367 2.652 10 0 FFAELO O[C@H](COc1ccccc1F)C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246629500 510591854 /nfs/dbraw/zinc/59/18/54/510591854.db2.gz JADDDLXQXSDSRL-DEYYWGMASA-N 1 2 367.367 2.652 10 0 FFAELO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000191339434 510612877 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FFAELO CCn1c(C)nnc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000195057043 510651788 /nfs/dbraw/zinc/65/17/88/510651788.db2.gz AOKSDDJDAOJKFH-UHFFFAOYSA-N 1 2 353.470 2.663 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2oc3c(c2C)C(=O)CCC3)C[C@@H]1CC ZINC000172299712 510653731 /nfs/dbraw/zinc/65/37/31/510653731.db2.gz JVSDLKIXSTUZKG-HNNXBMFYSA-N 1 2 362.470 2.680 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2oc3c(c2C)C(=O)CCC3)C[C@@H]1CC ZINC000172299712 510653734 /nfs/dbraw/zinc/65/37/34/510653734.db2.gz JVSDLKIXSTUZKG-HNNXBMFYSA-N 1 2 362.470 2.680 10 0 FFAELO COc1ccccc1NC(=O)C1CC[NH+](Cc2nnc(C3CC3)n2C)CC1 ZINC000195072613 510659986 /nfs/dbraw/zinc/65/99/86/510659986.db2.gz PQDMRJRGUILDMM-UHFFFAOYSA-N 1 2 369.469 2.552 10 0 FFAELO CCOC1CC(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)([NH+]2CCOCC2)C1 ZINC000195187146 510706936 /nfs/dbraw/zinc/70/69/36/510706936.db2.gz ZPCMEXAWEGSNEH-XTBIFASLSA-N 1 2 364.530 2.589 10 0 FFAELO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246849393 510708417 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CSc1ccsc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000173294829 509511000 /nfs/dbraw/zinc/51/10/00/509511000.db2.gz DITKGETWJYNFOO-AWEZNQCLSA-N 1 2 353.557 2.712 10 0 FFAELO CC(C)(C)n1ncc2c1nc[nH+]c2N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186157192 509550281 /nfs/dbraw/zinc/55/02/81/509550281.db2.gz DGDMPQQPVIZFAJ-ZFWWWQNUSA-N 1 2 357.483 2.855 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)COCc1ccccc1 ZINC000176521297 509560443 /nfs/dbraw/zinc/56/04/43/509560443.db2.gz UIZRIWGRDHVQKT-SFHVURJKSA-N 1 2 374.506 2.797 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)c1 ZINC000183060072 509570906 /nfs/dbraw/zinc/57/09/06/509570906.db2.gz GAPVQRHBNTVRTK-IBGZPJMESA-N 1 2 357.502 2.874 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)c1 ZINC000183060072 509570911 /nfs/dbraw/zinc/57/09/11/509570911.db2.gz GAPVQRHBNTVRTK-IBGZPJMESA-N 1 2 357.502 2.874 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)c2cc(C)ccc2O)[NH+]2CCOCC2)s1 ZINC000176557134 509581343 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509694930 /nfs/dbraw/zinc/69/49/30/509694930.db2.gz BFMYMURAKFTNAR-MAUKXSAKSA-N 1 2 350.890 2.842 10 0 FFAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCO2)[nH]1 ZINC000173658877 509703784 /nfs/dbraw/zinc/70/37/84/509703784.db2.gz RSVRZKGGHMPEIQ-SFHVURJKSA-N 1 2 351.410 2.874 10 0 FFAELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCO2)[nH]1 ZINC000173658877 509703791 /nfs/dbraw/zinc/70/37/91/509703791.db2.gz RSVRZKGGHMPEIQ-SFHVURJKSA-N 1 2 351.410 2.874 10 0 FFAELO CN(c1cccnn1)C1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000173672599 509711830 /nfs/dbraw/zinc/71/18/30/509711830.db2.gz VGKZDKUKLWHNNI-UHFFFAOYSA-N 1 2 366.444 2.902 10 0 FFAELO CCN(C(=O)C[N@@H+]1CCC[C@]1(C)C(=O)OC)[C@H](C)c1ccc(F)cc1 ZINC000249574190 509715411 /nfs/dbraw/zinc/71/54/11/509715411.db2.gz PBRZJRRAJWKJKI-AUUYWEPGSA-N 1 2 350.434 2.763 10 0 FFAELO CCN(C(=O)C[N@H+]1CCC[C@]1(C)C(=O)OC)[C@H](C)c1ccc(F)cc1 ZINC000249574190 509715417 /nfs/dbraw/zinc/71/54/17/509715417.db2.gz PBRZJRRAJWKJKI-AUUYWEPGSA-N 1 2 350.434 2.763 10 0 FFAELO CC(C)c1nc(C2([NH2+]CCn3cnc4ccccc4c3=O)CCCC2)no1 ZINC000173702546 509728749 /nfs/dbraw/zinc/72/87/49/509728749.db2.gz HPRRSQNSIOHCRR-UHFFFAOYSA-N 1 2 367.453 2.962 10 0 FFAELO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000186483229 509731490 /nfs/dbraw/zinc/73/14/90/509731490.db2.gz DDCOIRMJUGLLFJ-PMACEKPBSA-N 1 2 352.482 2.809 10 0 FFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000249724106 509742015 /nfs/dbraw/zinc/74/20/15/509742015.db2.gz OQPQAJBNPXHVED-IPELMVKDSA-N 1 2 374.481 2.885 10 0 FFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000249724106 509742020 /nfs/dbraw/zinc/74/20/20/509742020.db2.gz OQPQAJBNPXHVED-IPELMVKDSA-N 1 2 374.481 2.885 10 0 FFAELO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(Cc3ccco3)CC2)cs1 ZINC000189795538 509756445 /nfs/dbraw/zinc/75/64/45/509756445.db2.gz HOWNNJJSYGMKOX-SFHVURJKSA-N 1 2 374.510 2.526 10 0 FFAELO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3ccco3)CC2)cs1 ZINC000189795538 509756452 /nfs/dbraw/zinc/75/64/52/509756452.db2.gz HOWNNJJSYGMKOX-SFHVURJKSA-N 1 2 374.510 2.526 10 0 FFAELO Cc1nc([C@@H]2CCCN2CC(=O)N2CC[NH+](Cc3ccco3)CC2)cs1 ZINC000189795538 509756457 /nfs/dbraw/zinc/75/64/57/509756457.db2.gz HOWNNJJSYGMKOX-SFHVURJKSA-N 1 2 374.510 2.526 10 0 FFAELO Cc1nnc([C@@H]2C[N@H+](Cc3c(C)nn(-c4ccc(F)cc4)c3C)CCO2)[nH]1 ZINC000180116815 509760860 /nfs/dbraw/zinc/76/08/60/509760860.db2.gz BATLJFNUJQYJQD-SFHVURJKSA-N 1 2 370.432 2.628 10 0 FFAELO Cc1nnc([C@@H]2C[N@@H+](Cc3c(C)nn(-c4ccc(F)cc4)c3C)CCO2)[nH]1 ZINC000180116815 509760865 /nfs/dbraw/zinc/76/08/65/509760865.db2.gz BATLJFNUJQYJQD-SFHVURJKSA-N 1 2 370.432 2.628 10 0 FFAELO CCCOc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000176920300 509766527 /nfs/dbraw/zinc/76/65/27/509766527.db2.gz GFVMXUPPSVAUIJ-OAHLLOKOSA-N 1 2 352.862 2.676 10 0 FFAELO Cc1ccc(-c2nnc(S(=O)(=O)Cc3[nH+]ccn3C(C)C)n2C)cc1 ZINC000176953978 509783219 /nfs/dbraw/zinc/78/32/19/509783219.db2.gz JKEGTHIJQVXSEB-UHFFFAOYSA-N 1 2 359.455 2.542 10 0 FFAELO O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173818595 509795514 /nfs/dbraw/zinc/79/55/14/509795514.db2.gz ZEYXTODWTJRNDH-MOPGFXCFSA-N 1 2 361.461 2.783 10 0 FFAELO CC(C)c1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nn1C(C)(C)C ZINC000173888037 509836164 /nfs/dbraw/zinc/83/61/64/509836164.db2.gz GQVYDISSLCOGDR-QAPCUYQASA-N 1 2 362.518 2.554 10 0 FFAELO Cc1nc(-c2cccc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c2)oc1C ZINC000173886673 509836220 /nfs/dbraw/zinc/83/62/20/509836220.db2.gz MZPHJYOVKAIIBU-SFHVURJKSA-N 1 2 370.453 2.897 10 0 FFAELO CC(C)(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccs1 ZINC000173892756 509839016 /nfs/dbraw/zinc/83/90/16/509839016.db2.gz FTDUZJYAIOPKST-GOEBONIOSA-N 1 2 351.516 2.951 10 0 FFAELO O=C(Nc1ccc(CC(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173904754 509844474 /nfs/dbraw/zinc/84/44/74/509844474.db2.gz PFMYPGBNJQBENQ-OAHLLOKOSA-N 1 2 357.376 2.730 10 0 FFAELO C[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000186679715 509847478 /nfs/dbraw/zinc/84/74/78/509847478.db2.gz KCVHZWOHZYBWTK-UHFFFAOYSA-N 1 2 369.465 2.641 10 0 FFAELO C[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000186679715 509847482 /nfs/dbraw/zinc/84/74/82/509847482.db2.gz KCVHZWOHZYBWTK-UHFFFAOYSA-N 1 2 369.465 2.641 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2c(C)cc(C)cc2C)nc[nH+]1 ZINC000180296388 509856001 /nfs/dbraw/zinc/85/60/01/509856001.db2.gz SKJPWMBKTUVKGT-KRWDZBQOSA-N 1 2 367.497 2.771 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2c(C)cc(C)cc2C)[nH+]cn1 ZINC000180296388 509856006 /nfs/dbraw/zinc/85/60/06/509856006.db2.gz SKJPWMBKTUVKGT-KRWDZBQOSA-N 1 2 367.497 2.771 10 0 FFAELO Cc1nc(CN2CCC[N@H+](Cc3coc(-c4ccccc4)n3)CC2)no1 ZINC000170943014 509862765 /nfs/dbraw/zinc/86/27/65/509862765.db2.gz ITFOWKMVTDKXBW-UHFFFAOYSA-N 1 2 353.426 2.741 10 0 FFAELO Cc1nc(CN2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)CC2)no1 ZINC000170943014 509862774 /nfs/dbraw/zinc/86/27/74/509862774.db2.gz ITFOWKMVTDKXBW-UHFFFAOYSA-N 1 2 353.426 2.741 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000245201079 509881187 /nfs/dbraw/zinc/88/11/87/509881187.db2.gz OGNLYVFLTHWXQR-IEBWSBKVSA-N 1 2 361.461 2.526 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000245201079 509881193 /nfs/dbraw/zinc/88/11/93/509881193.db2.gz OGNLYVFLTHWXQR-IEBWSBKVSA-N 1 2 361.461 2.526 10 0 FFAELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C1 ZINC000245406151 509909420 /nfs/dbraw/zinc/90/94/20/509909420.db2.gz WEFQVNRNVVSEPW-HUUCEWRRSA-N 1 2 362.495 2.789 10 0 FFAELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C1 ZINC000245406151 509909425 /nfs/dbraw/zinc/90/94/25/509909425.db2.gz WEFQVNRNVVSEPW-HUUCEWRRSA-N 1 2 362.495 2.789 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)c2ccc(C)cc2)nc[nH+]1 ZINC000174140428 509965620 /nfs/dbraw/zinc/96/56/20/509965620.db2.gz XFTRHHIDNZKEDB-DOTOQJQBSA-N 1 2 368.485 2.856 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)c2ccc(C)cc2)[nH+]cn1 ZINC000174140428 509965626 /nfs/dbraw/zinc/96/56/26/509965626.db2.gz XFTRHHIDNZKEDB-DOTOQJQBSA-N 1 2 368.485 2.856 10 0 FFAELO COc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1OC(F)F ZINC000190145513 509965723 /nfs/dbraw/zinc/96/57/23/509965723.db2.gz HOMQAVFNFXCZPI-STQMWFEESA-N 1 2 369.368 2.950 10 0 FFAELO COc1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1OC(F)F ZINC000190145513 509965730 /nfs/dbraw/zinc/96/57/30/509965730.db2.gz HOMQAVFNFXCZPI-STQMWFEESA-N 1 2 369.368 2.950 10 0 FFAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000190146701 509967697 /nfs/dbraw/zinc/96/76/97/509967697.db2.gz BJUWYXOICIRNLQ-IRXDYDNUSA-N 1 2 367.409 2.922 10 0 FFAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000190146701 509967702 /nfs/dbraw/zinc/96/77/02/509967702.db2.gz BJUWYXOICIRNLQ-IRXDYDNUSA-N 1 2 367.409 2.922 10 0 FFAELO O=C(N[C@@H]1CCOc2ccccc21)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171159952 509977885 /nfs/dbraw/zinc/97/78/85/509977885.db2.gz PPEAXZMCLBUIKB-QGZVFWFLSA-N 1 2 372.494 2.884 10 0 FFAELO O=C(N[C@@H]1CCOc2ccccc21)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171159952 509977891 /nfs/dbraw/zinc/97/78/91/509977891.db2.gz PPEAXZMCLBUIKB-QGZVFWFLSA-N 1 2 372.494 2.884 10 0 FFAELO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCCN(c3ccccn3)CC2)on1 ZINC000183794478 509977801 /nfs/dbraw/zinc/97/78/01/509977801.db2.gz JYCAGLLYNDXNHR-UHFFFAOYSA-N 1 2 357.458 2.518 10 0 FFAELO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCCN(c3ccccn3)CC2)on1 ZINC000183794478 509977810 /nfs/dbraw/zinc/97/78/10/509977810.db2.gz JYCAGLLYNDXNHR-UHFFFAOYSA-N 1 2 357.458 2.518 10 0 FFAELO CCNc1ccc(Cl)cc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000190175090 509986528 /nfs/dbraw/zinc/98/65/28/509986528.db2.gz ZJOACQRDPZMDGG-DYVFJYSZSA-N 1 2 351.878 2.565 10 0 FFAELO CC(=O)CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000245547609 509997498 /nfs/dbraw/zinc/99/74/98/509997498.db2.gz MTTHLYJCBYTVDD-GJZGRUSLSA-N 1 2 360.351 2.641 10 0 FFAELO CC(=O)CC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000245547609 509997507 /nfs/dbraw/zinc/99/75/07/509997507.db2.gz MTTHLYJCBYTVDD-GJZGRUSLSA-N 1 2 360.351 2.641 10 0 FFAELO O[C@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)COc1ccccc1F ZINC000174244862 510021780 /nfs/dbraw/zinc/02/17/80/510021780.db2.gz ZZXBLUGGEJJBGQ-CQSZACIVSA-N 1 2 361.417 2.885 10 0 FFAELO Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1C ZINC000171288122 510055933 /nfs/dbraw/zinc/05/59/33/510055933.db2.gz XQLQPDOJGGPPHO-SFHVURJKSA-N 1 2 366.461 2.595 10 0 FFAELO Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1C ZINC000171288122 510055938 /nfs/dbraw/zinc/05/59/38/510055938.db2.gz XQLQPDOJGGPPHO-SFHVURJKSA-N 1 2 366.461 2.595 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N(C)[C@@H]2CCSC2)c2cccs2)CCO1 ZINC000245639890 510056468 /nfs/dbraw/zinc/05/64/68/510056468.db2.gz HISRIIPGQNVOOA-RBSFLKMASA-N 1 2 369.556 2.657 10 0 FFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N(C)[C@@H]2CCSC2)c2cccs2)CCO1 ZINC000245639890 510056478 /nfs/dbraw/zinc/05/64/78/510056478.db2.gz HISRIIPGQNVOOA-RBSFLKMASA-N 1 2 369.556 2.657 10 0 FFAELO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177448230 510064632 /nfs/dbraw/zinc/06/46/32/510064632.db2.gz PLKXSTCIJYKYLK-VQIMIIECSA-N 1 2 371.460 2.723 10 0 FFAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2C(=O)c2cccs2)C[C@@H]1C ZINC000174338949 510066904 /nfs/dbraw/zinc/06/69/04/510066904.db2.gz VBTFUPTXKXOIJR-LSDHHAIUSA-N 1 2 372.490 2.506 10 0 FFAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccccc2C(=O)c2cccs2)C[C@@H]1C ZINC000174338949 510066909 /nfs/dbraw/zinc/06/69/09/510066909.db2.gz VBTFUPTXKXOIJR-LSDHHAIUSA-N 1 2 372.490 2.506 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc(C(C)=O)c2)nc[nH+]1 ZINC000174347006 510070366 /nfs/dbraw/zinc/07/03/66/510070366.db2.gz PECHVQKHDHKDQF-MRXNPFEDSA-N 1 2 368.441 2.511 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc(C(C)=O)c2)[nH+]cn1 ZINC000174347006 510070367 /nfs/dbraw/zinc/07/03/67/510070367.db2.gz PECHVQKHDHKDQF-MRXNPFEDSA-N 1 2 368.441 2.511 10 0 FFAELO Cc1noc(CCCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000245708515 510099022 /nfs/dbraw/zinc/09/90/22/510099022.db2.gz SKKCEXYFUZPIBR-YJBOKZPZSA-N 1 2 364.396 2.541 10 0 FFAELO Cc1noc(CCCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000245708515 510099031 /nfs/dbraw/zinc/09/90/31/510099031.db2.gz SKKCEXYFUZPIBR-YJBOKZPZSA-N 1 2 364.396 2.541 10 0 FFAELO Cc1[nH]nc2ncc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccc(F)c(F)c3)cc12 ZINC000245715425 510104277 /nfs/dbraw/zinc/10/42/77/510104277.db2.gz USZYARYGJBUQHE-IRXDYDNUSA-N 1 2 371.391 2.720 10 0 FFAELO Cc1[nH]nc2ncc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccc(F)c(F)c3)cc12 ZINC000245715425 510104282 /nfs/dbraw/zinc/10/42/82/510104282.db2.gz USZYARYGJBUQHE-IRXDYDNUSA-N 1 2 371.391 2.720 10 0 FFAELO Cc1ccnc(NC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000184078862 510120129 /nfs/dbraw/zinc/12/01/29/510120129.db2.gz FXVGJMXEGNMQFF-HNNXBMFYSA-N 1 2 360.483 2.989 10 0 FFAELO 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FFAELO Cc1cc2[nH]c(CCNC(=O)c3ccc(-n4cnnc4)cc3)[nH+]c2cc1C ZINC000019718872 211250977 /nfs/dbraw/zinc/25/09/77/211250977.db2.gz QNOXZLGNUKPKFJ-UHFFFAOYSA-N 1 2 360.421 2.733 10 0 in-vitro FFAELO COc1cccc(N2CC[C@@H](CNC(=O)Cc3cn4ccccc4[nH+]3)C2)c1 ZINC000102645795 250116611 /nfs/dbraw/zinc/11/66/11/250116611.db2.gz BKRPMWLKICMPLL-INIZCTEOSA-N 1 2 364.449 2.528 10 0 FFAELO COc1cccc(N2CC[C@H](CNC(=O)Cc3cn4ccccc4[nH+]3)C2)c1 ZINC000102645793 250117648 /nfs/dbraw/zinc/11/76/48/250117648.db2.gz BKRPMWLKICMPLL-MRXNPFEDSA-N 1 2 364.449 2.528 10 0 FFAELO Cc1cc(C(=O)C[NH+]2CCC(n3cncn3)CC2)c(C)n1CC(F)(F)F ZINC000103471991 250153717 /nfs/dbraw/zinc/15/37/17/250153717.db2.gz LLACEWXQSBPHAB-UHFFFAOYSA-N 1 2 369.391 2.779 10 0 FFAELO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000103478329 250155422 /nfs/dbraw/zinc/15/54/22/250155422.db2.gz VNYNDDTXJXUVJT-YOEHRIQHSA-N 1 2 369.469 2.707 10 0 FFAELO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000103478329 250155427 /nfs/dbraw/zinc/15/54/27/250155427.db2.gz VNYNDDTXJXUVJT-YOEHRIQHSA-N 1 2 369.469 2.707 10 0 FFAELO Cc1cc(C)c(NC(=O)C[NH+]2CCC(N(C)c3cccnn3)CC2)c(C)c1 ZINC000106084949 250233319 /nfs/dbraw/zinc/23/33/19/250233319.db2.gz SHXNDDHYNSQDMU-UHFFFAOYSA-N 1 2 367.497 2.941 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)s1 ZINC000106091502 250234006 /nfs/dbraw/zinc/23/40/06/250234006.db2.gz BSDVXBVMCUBJCG-OAHLLOKOSA-N 1 2 358.511 2.905 10 0 FFAELO Cc1ccc2oc(N3CC[NH+]([C@H](C)C(=O)N4CCC(C)CC4)CC3)nc2c1 ZINC000106095602 250235628 /nfs/dbraw/zinc/23/56/28/250235628.db2.gz SMMIUTPMTPJPQW-QGZVFWFLSA-N 1 2 370.497 2.905 10 0 FFAELO Cc1noc([C@H](C)N2CCN(Cc3[nH+]ccn3Cc3ccccc3)CC2)n1 ZINC000106132502 250241601 /nfs/dbraw/zinc/24/16/01/250241601.db2.gz WBVHWHYVAPLMIA-INIZCTEOSA-N 1 2 366.469 2.502 10 0 FFAELO CCCCc1noc([C@@H](C)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1 ZINC000106144159 250244442 /nfs/dbraw/zinc/24/44/42/250244442.db2.gz OYJFWCQUTVEWNG-MRXNPFEDSA-N 1 2 360.506 2.641 10 0 FFAELO C[N@@H+](Cc1nc(C(C)(C)C)no1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106161051 250246112 /nfs/dbraw/zinc/24/61/12/250246112.db2.gz WCGSMBTVUXOYPB-CQSZACIVSA-N 1 2 364.515 2.934 10 0 FFAELO C[N@H+](Cc1nc(C(C)(C)C)no1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106161051 250246114 /nfs/dbraw/zinc/24/61/14/250246114.db2.gz WCGSMBTVUXOYPB-CQSZACIVSA-N 1 2 364.515 2.934 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(CCCN1C(=O)c3ccccc3C1=O)C2 ZINC000106370518 250266229 /nfs/dbraw/zinc/26/62/29/250266229.db2.gz HJLFCNJMETZFCN-UHFFFAOYSA-N 1 2 366.465 2.588 10 0 FFAELO CC(C)c1nc2c(n1C)CC[N@H+](CCCN1C(=O)c3ccccc3C1=O)C2 ZINC000106370518 250266235 /nfs/dbraw/zinc/26/62/35/250266235.db2.gz HJLFCNJMETZFCN-UHFFFAOYSA-N 1 2 366.465 2.588 10 0 FFAELO CC(C)c1nc2c(n1C)CC[N@@H+](CCCN1C(=O)c3ccccc3C1=O)C2 ZINC000106370518 250266241 /nfs/dbraw/zinc/26/62/41/250266241.db2.gz HJLFCNJMETZFCN-UHFFFAOYSA-N 1 2 366.465 2.588 10 0 FFAELO CCOc1ccc(OC[C@@H](O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000106373544 250267986 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FFAELO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1nc(C(C)(C)C)cs1 ZINC000106529779 250276707 /nfs/dbraw/zinc/27/67/07/250276707.db2.gz CJLQFACJKSKZHD-QWHCGFSZSA-N 1 2 354.520 2.522 10 0 FFAELO O=C(C[NH+]1CCC(Cn2cccn2)CC1)Nc1cccc2c1N=S=N2 ZINC000106185699 250251890 /nfs/dbraw/zinc/25/18/90/250251890.db2.gz WLGWHHJSRIVHGZ-UHFFFAOYSA-N 1 2 356.455 2.960 10 0 FFAELO Cc1cc(C)n(C[C@H]2CN(Cc3cn4cc(Cl)ccc4[nH+]3)CCO2)n1 ZINC000106199332 250253148 /nfs/dbraw/zinc/25/31/48/250253148.db2.gz NLYZTCIOOBFDPN-QGZVFWFLSA-N 1 2 359.861 2.702 10 0 FFAELO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000106210733 250254349 /nfs/dbraw/zinc/25/43/49/250254349.db2.gz HEYXFHAQEWJXEA-KRWDZBQOSA-N 1 2 372.469 2.830 10 0 FFAELO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000106210733 250254354 /nfs/dbraw/zinc/25/43/54/250254354.db2.gz HEYXFHAQEWJXEA-KRWDZBQOSA-N 1 2 372.469 2.830 10 0 FFAELO C[C@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1nccs1 ZINC000106278584 250261082 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O=C1CCc2cc(OCCNc3cc(N4CCCCC4)nc[nH+]3)ccc2N1 ZINC000301235364 258035530 /nfs/dbraw/zinc/03/55/30/258035530.db2.gz KAWHZVSTSRXVKX-UHFFFAOYSA-N 1 2 367.453 2.843 10 0 FFAELO O=C1CCc2cc(OCCNc3cc(N4CCCCC4)[nH+]cn3)ccc2N1 ZINC000301235364 258035532 /nfs/dbraw/zinc/03/55/32/258035532.db2.gz KAWHZVSTSRXVKX-UHFFFAOYSA-N 1 2 367.453 2.843 10 0 FFAELO Cc1nc(N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc[nH+]1 ZINC000302156469 258091560 /nfs/dbraw/zinc/09/15/60/258091560.db2.gz MWIAVMBBJMWVQU-UHFFFAOYSA-N 1 2 350.401 2.708 10 0 FFAELO C[C@@H]1Oc2c(cccc2C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)NC1=O ZINC000328657811 258117072 /nfs/dbraw/zinc/11/70/72/258117072.db2.gz PVIBCXLCACFDIW-YVEFUNNKSA-N 1 2 369.396 2.981 10 0 FFAELO CCc1cc(=O)n2nc(NCc3[nH+]ccn3Cc3ccccc3)sc2n1 ZINC000301485006 258052054 /nfs/dbraw/zinc/05/20/54/258052054.db2.gz YTNLZNPEXAOTQY-UHFFFAOYSA-N 1 2 366.450 2.570 10 0 FFAELO CC(C)(C)n1ncc2c1nc(NCCc1[nH]c3ccc(F)cc3[nH+]1)[nH]c2=O ZINC000301738676 258065683 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CS[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000129746838 508761609 /nfs/dbraw/zinc/76/16/09/508761609.db2.gz PVCRSDUJHMSYFJ-MCIONIFRSA-N 1 2 357.545 2.561 10 0 FFAELO CS[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000129746838 508761613 /nfs/dbraw/zinc/76/16/13/508761613.db2.gz PVCRSDUJHMSYFJ-MCIONIFRSA-N 1 2 357.545 2.561 10 0 FFAELO CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000119600811 508826587 /nfs/dbraw/zinc/82/65/87/508826587.db2.gz HTLKOLAJBUWHFW-AWEZNQCLSA-N 1 2 372.444 2.541 10 0 FFAELO COc1cccc2c1CC[C@H]2NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154748843 508847524 /nfs/dbraw/zinc/84/75/24/508847524.db2.gz VFUQHIBPUODILR-MAUKXSAKSA-N 1 2 353.422 2.940 10 0 FFAELO Cc1ncc(CN2CC[NH+]([C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)s1 ZINC000155062708 508915160 /nfs/dbraw/zinc/91/51/60/508915160.db2.gz FXUBOUMPLXDQPC-HRCADAONSA-N 1 2 364.559 2.747 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)s1 ZINC000155062708 508915162 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10 0 FFAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)c2cccc3c2OCO3)c2cccs2)CCO1 ZINC000246726350 510637641 /nfs/dbraw/zinc/63/76/41/510637641.db2.gz GIQFOTTXALYAQU-DZGCQCFKSA-N 1 2 374.462 2.669 10 0 FFAELO C[C@H]1C[N@H+]([C@H](CNC(=O)c2cccc3c2OCO3)c2cccs2)CCO1 ZINC000246726350 510637647 /nfs/dbraw/zinc/63/76/47/510637647.db2.gz GIQFOTTXALYAQU-DZGCQCFKSA-N 1 2 374.462 2.669 10 0 FFAELO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000195030781 510638038 /nfs/dbraw/zinc/63/80/38/510638038.db2.gz CKYWMOROKLGAEB-JSFDKUKPSA-N 1 2 357.454 2.750 10 0 FFAELO C[C@@H]1CC[C@H](CCC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)O1 ZINC000246751988 510653582 /nfs/dbraw/zinc/65/35/82/510653582.db2.gz HSYAABSXGQPUCU-BRWVUGGUSA-N 1 2 366.527 2.928 10 0 FFAELO C[C@H](Sc1ccccc1Cl)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246835427 510701764 /nfs/dbraw/zinc/70/17/64/510701764.db2.gz DCHFPXPSWBRXBN-DZKIICNBSA-N 1 2 368.930 3.000 10 0 FFAELO CCOC1CC(CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)([NH+]2CCOCC2)C1 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PBWVVRRSXMYJIH-AWEZNQCLSA-N 1 2 359.451 2.748 10 0 FFAELO COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195351537 510797131 /nfs/dbraw/zinc/79/71/31/510797131.db2.gz PBWVVRRSXMYJIH-AWEZNQCLSA-N 1 2 359.451 2.748 10 0 FFAELO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195352920 510797507 /nfs/dbraw/zinc/79/75/07/510797507.db2.gz WTLOBAVQFRVPRZ-AWEZNQCLSA-N 1 2 359.451 2.748 10 0 FFAELO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195352920 510797510 /nfs/dbraw/zinc/79/75/10/510797510.db2.gz WTLOBAVQFRVPRZ-AWEZNQCLSA-N 1 2 359.451 2.748 10 0 FFAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2cc(Cl)cn2C)c2cccs2)CCO1 ZINC000247036895 510811855 /nfs/dbraw/zinc/81/18/55/510811855.db2.gz SRAPCARBPMFQKC-IUODEOHRSA-N 1 2 367.902 2.932 10 0 FFAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2cc(Cl)cn2C)c2cccs2)CCO1 ZINC000247036895 510811857 /nfs/dbraw/zinc/81/18/57/510811857.db2.gz SRAPCARBPMFQKC-IUODEOHRSA-N 1 2 367.902 2.932 10 0 FFAELO COC(=O)c1cccc(OCC[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000195396706 510812554 /nfs/dbraw/zinc/81/25/54/510812554.db2.gz OYNKFUZZJMINIO-MRXNPFEDSA-N 1 2 362.451 2.690 10 0 FFAELO COC(=O)c1cccc(OCC[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000195396706 510812557 /nfs/dbraw/zinc/81/25/57/510812557.db2.gz OYNKFUZZJMINIO-MRXNPFEDSA-N 1 2 362.451 2.690 10 0 FFAELO COC(=O)c1oc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1C ZINC000178908697 510830583 /nfs/dbraw/zinc/83/05/83/510830583.db2.gz RNAIDPMDLSSNLK-MLGOLLRUSA-N 1 2 351.349 2.961 10 0 FFAELO COC(=O)c1oc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1C ZINC000178908697 510830587 /nfs/dbraw/zinc/83/05/87/510830587.db2.gz RNAIDPMDLSSNLK-MLGOLLRUSA-N 1 2 351.349 2.961 10 0 FFAELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ncn(C(C)(C)C)n1)CCCC2 ZINC000291464029 511207876 /nfs/dbraw/zinc/20/78/76/511207876.db2.gz MGRSTTCJOJXRTD-OAHLLOKOSA-N 1 2 356.474 2.623 10 0 FFAELO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000333416642 511236072 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373.497 2.641 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)CC2)s1 ZINC000173305771 509519573 /nfs/dbraw/zinc/51/95/73/509519573.db2.gz REVLHIGUXYCMJY-LJQANCHMSA-N 1 2 371.506 2.716 10 0 FFAELO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@H]2CC3(CCC3)C(=O)O2)o1 ZINC000248906583 509538998 /nfs/dbraw/zinc/53/89/98/509538998.db2.gz WOTUWNCFRJNPRZ-SJORKVTESA-N 1 2 353.422 2.963 10 0 FFAELO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@H]2CC3(CCC3)C(=O)O2)o1 ZINC000248906583 509539008 /nfs/dbraw/zinc/53/90/08/509539008.db2.gz WOTUWNCFRJNPRZ-SJORKVTESA-N 1 2 353.422 2.963 10 0 FFAELO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000248911873 509542406 /nfs/dbraw/zinc/54/24/06/509542406.db2.gz YHXFKFMVFJNTGE-BPQIPLTHSA-N 1 2 372.490 2.826 10 0 FFAELO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000248911873 509542414 /nfs/dbraw/zinc/54/24/14/509542414.db2.gz YHXFKFMVFJNTGE-BPQIPLTHSA-N 1 2 372.490 2.826 10 0 FFAELO Cc1ccc([C@H](CNC(=O)COCc2ccccc2)[NH+]2CCOCC2)s1 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FFAELO CC1(C)OCc2cc(C[N@H+]3Cc4ccccc4C[C@H]3C(N)=O)ccc2O1 ZINC000186598929 509793847 /nfs/dbraw/zinc/79/38/47/509793847.db2.gz AYIPWHASHBASRR-SFHVURJKSA-N 1 2 352.434 2.744 10 0 FFAELO C[C@H]1CN(C(=O)c2cc(Cl)cc3cccnc32)C[C@@H]1[NH+]1CCOCC1 ZINC000173876847 509829497 /nfs/dbraw/zinc/82/94/97/509829497.db2.gz AHCTUKLOPGATTM-GUYCJALGSA-N 1 2 359.857 2.681 10 0 FFAELO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000252352389 509833427 /nfs/dbraw/zinc/83/34/27/509833427.db2.gz BWNYTGIPAZNTCO-SXLOBPIMSA-N 1 2 370.497 2.630 10 0 FFAELO CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000252352389 509833438 /nfs/dbraw/zinc/83/34/38/509833438.db2.gz BWNYTGIPAZNTCO-SXLOBPIMSA-N 1 2 370.497 2.630 10 0 FFAELO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000173910646 509850392 /nfs/dbraw/zinc/85/03/92/509850392.db2.gz GBWPFLYTOSBWFW-YOEHRIQHSA-N 1 2 353.413 2.532 10 0 FFAELO Cc1ccc(CC(=O)N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)cc1O ZINC000180337824 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O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCn2ccnc21 ZINC000245416949 509917605 /nfs/dbraw/zinc/91/76/05/509917605.db2.gz JCRBPTPNLBJWLZ-GJZGRUSLSA-N 1 2 374.435 2.820 10 0 FFAELO C[C@H]1C[N@H+](Cc2nnc3n2c2ccccc2c(=O)n3C)[C@H]1c1ccccc1 ZINC000245427423 509924928 /nfs/dbraw/zinc/92/49/28/509924928.db2.gz LZYOWLNJRWQTQR-IFXJQAMLSA-N 1 2 359.433 2.774 10 0 FFAELO C[C@H]1C[N@@H+](Cc2nnc3n2c2ccccc2c(=O)n3C)[C@H]1c1ccccc1 ZINC000245427423 509924931 /nfs/dbraw/zinc/92/49/31/509924931.db2.gz LZYOWLNJRWQTQR-IFXJQAMLSA-N 1 2 359.433 2.774 10 0 FFAELO C[C@@H]1CN(C(=O)Nc2ncc(-c3ccccc3)s2)C[C@H]1[NH+]1CCOCC1 ZINC000177233647 509952171 /nfs/dbraw/zinc/95/21/71/509952171.db2.gz UMJYFNWUROZMOT-GDBMZVCRSA-N 1 2 372.494 2.995 10 0 FFAELO COc1ccc(Br)cc1CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177247785 509957959 /nfs/dbraw/zinc/95/79/59/509957959.db2.gz XGUVUGAEQOMBOA-CJNGLKHVSA-N 1 2 369.303 2.610 10 0 FFAELO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(OC)cc3C)sc2C1 ZINC000171146954 509968588 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COCc1ccccc1CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112742882 508218500 /nfs/dbraw/zinc/21/85/00/508218500.db2.gz FBPZNPVSPZJZNQ-UHFFFAOYSA-N 1 2 356.470 2.958 10 0 FFAELO CCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000103075578 508295548 /nfs/dbraw/zinc/29/55/48/508295548.db2.gz DOBFZLASAKZJML-UHFFFAOYSA-N 1 2 354.454 2.581 10 0 FFAELO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104797828 508347488 /nfs/dbraw/zinc/34/74/88/508347488.db2.gz RWHOHBRVNBFMOR-CYBMUJFWSA-N 1 2 360.285 2.856 10 0 FFAELO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104797828 508347492 /nfs/dbraw/zinc/34/74/92/508347492.db2.gz RWHOHBRVNBFMOR-CYBMUJFWSA-N 1 2 360.285 2.856 10 0 FFAELO CC[C@@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)c1ccccc1 ZINC000115390023 508390360 /nfs/dbraw/zinc/39/03/60/508390360.db2.gz NVKLNJOKWIEJGF-LJQANCHMSA-N 1 2 354.498 2.875 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)NC3CCC(C)CC3)CC2)s1 ZINC000106090283 508392181 /nfs/dbraw/zinc/39/21/81/508392181.db2.gz CENXGQOSTMKPLN-ISXOHVOVSA-N 1 2 364.559 2.653 10 0 FFAELO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084248 508392542 /nfs/dbraw/zinc/39/25/42/508392542.db2.gz BGKPKFQCVWWDQQ-UHFFFAOYSA-N 1 2 373.888 2.978 10 0 FFAELO Clc1cccc(Cl)c1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106092102 508393001 /nfs/dbraw/zinc/39/30/01/508393001.db2.gz XEOFHQQHGRZXLY-UHFFFAOYSA-N 1 2 363.252 2.753 10 0 FFAELO CCOCCN1CC[N@@H+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)C[C@H]1CC ZINC000106119666 508395401 /nfs/dbraw/zinc/39/54/01/508395401.db2.gz GAVVFCDJOXMMIP-CEXWTWQISA-N 1 2 353.551 2.599 10 0 FFAELO CCOCCN1CC[N@H+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)C[C@H]1CC ZINC000106119666 508395404 /nfs/dbraw/zinc/39/54/04/508395404.db2.gz GAVVFCDJOXMMIP-CEXWTWQISA-N 1 2 353.551 2.599 10 0 FFAELO CC(C)(C)n1cc(C[NH+]2CCN(CC(=O)Nc3cccc(F)c3)CC2)cn1 ZINC000106145331 508396429 /nfs/dbraw/zinc/39/64/29/508396429.db2.gz APTTZRJQPJDTQO-UHFFFAOYSA-N 1 2 373.476 2.534 10 0 FFAELO CNC(=O)c1cccc(CCNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)c1 ZINC000156715604 508466376 /nfs/dbraw/zinc/46/63/76/508466376.db2.gz GRUQORSRKMGHBW-OAHLLOKOSA-N 1 2 353.470 2.727 10 0 FFAELO CNC(=O)c1cccc(CCNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)c1 ZINC000156715604 508466380 /nfs/dbraw/zinc/46/63/80/508466380.db2.gz GRUQORSRKMGHBW-OAHLLOKOSA-N 1 2 353.470 2.727 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H]3COc4ccccc43)CC2)cs1 ZINC000116425745 508512015 /nfs/dbraw/zinc/51/20/15/508512015.db2.gz KSIAUMTZUGODGO-KRWDZBQOSA-N 1 2 372.494 2.803 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H]3COc4ccccc43)CC2)cs1 ZINC000116425745 508512017 /nfs/dbraw/zinc/51/20/17/508512017.db2.gz KSIAUMTZUGODGO-KRWDZBQOSA-N 1 2 372.494 2.803 10 0 FFAELO CCS[C@H](C)c1noc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000127992477 508532428 /nfs/dbraw/zinc/53/24/28/508532428.db2.gz FYPSNWIEULXPRZ-ZIAGYGMSSA-N 1 2 362.503 2.775 10 0 FFAELO CCS[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000127992477 508532433 /nfs/dbraw/zinc/53/24/33/508532433.db2.gz FYPSNWIEULXPRZ-ZIAGYGMSSA-N 1 2 362.503 2.775 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)CCO2)c1 ZINC000122503642 508545666 /nfs/dbraw/zinc/54/56/66/508545666.db2.gz JKBYXMBOYJSIGN-QGZVFWFLSA-N 1 2 358.461 2.832 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)CCO2)c1 ZINC000122503642 508545669 /nfs/dbraw/zinc/54/56/69/508545669.db2.gz JKBYXMBOYJSIGN-QGZVFWFLSA-N 1 2 358.461 2.832 10 0 FFAELO CCN(CC)c1ncc(C[N@@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)s1 ZINC000122523771 508548388 /nfs/dbraw/zinc/54/83/88/508548388.db2.gz SNIJMFTYTUEQHB-MRXNPFEDSA-N 1 2 363.531 2.704 10 0 FFAELO CCN(CC)c1ncc(C[N@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)s1 ZINC000122523771 508548392 /nfs/dbraw/zinc/54/83/92/508548392.db2.gz SNIJMFTYTUEQHB-MRXNPFEDSA-N 1 2 363.531 2.704 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C)o3)CCO2)n1 ZINC000122543539 508551937 /nfs/dbraw/zinc/55/19/37/508551937.db2.gz UBGVXRJVEALLOV-KRWDZBQOSA-N 1 2 355.442 2.692 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(C)o3)CCO2)n1 ZINC000122543539 508551941 /nfs/dbraw/zinc/55/19/41/508551941.db2.gz UBGVXRJVEALLOV-KRWDZBQOSA-N 1 2 355.442 2.692 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)C)cc3)CCO2)n1 ZINC000135055695 508583522 /nfs/dbraw/zinc/58/35/22/508583522.db2.gz QBJDGSVBUVGMDU-FQEVSTJZSA-N 1 2 371.481 2.966 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)C)cc3)CCO2)n1 ZINC000135055695 508583527 /nfs/dbraw/zinc/58/35/27/508583527.db2.gz QBJDGSVBUVGMDU-FQEVSTJZSA-N 1 2 371.481 2.966 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(Br)cs2)C[C@H]1C ZINC000117274405 508586183 /nfs/dbraw/zinc/58/61/83/508586183.db2.gz GZDMNZBEIRUPGS-LLVKDONJSA-N 1 2 361.305 2.693 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2cc(Br)cs2)C[C@H]1C ZINC000117274405 508586185 /nfs/dbraw/zinc/58/61/85/508586185.db2.gz GZDMNZBEIRUPGS-LLVKDONJSA-N 1 2 361.305 2.693 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)C[C@H]1C ZINC000117287843 508589578 /nfs/dbraw/zinc/58/95/78/508589578.db2.gz RMYBFIIVVKVHLH-CYBMUJFWSA-N 1 2 363.458 2.742 10 0 FFAELO COCC[N@H+]1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)C[C@H]1C ZINC000117287843 508589582 /nfs/dbraw/zinc/58/95/82/508589582.db2.gz RMYBFIIVVKVHLH-CYBMUJFWSA-N 1 2 363.458 2.742 10 0 FFAELO CC[C@H](CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C(C)C ZINC000117312288 508592802 /nfs/dbraw/zinc/59/28/02/508592802.db2.gz RMNUIUZRUQGLKZ-MOPGFXCFSA-N 1 2 362.514 2.643 10 0 FFAELO O=C(N[C@H]1CCCN(c2ccccc2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000153627521 508611541 /nfs/dbraw/zinc/61/15/41/508611541.db2.gz VVNDYBCDWPWJRW-PXNSSMCTSA-N 1 2 366.465 2.913 10 0 FFAELO C[C@@H]1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000157851645 508622130 /nfs/dbraw/zinc/62/21/30/508622130.db2.gz KFCMHUHCNOCBLV-RHSMWYFYSA-N 1 2 370.415 2.974 10 0 FFAELO CCc1nnc([C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CCO2)[nH]1 ZINC000129197952 508696818 /nfs/dbraw/zinc/69/68/18/508696818.db2.gz XLVNHZUMVBYPPZ-ZDUSSCGKSA-N 1 2 356.348 2.839 10 0 FFAELO CCc1nnc([C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CCO2)[nH]1 ZINC000129197952 508696821 /nfs/dbraw/zinc/69/68/21/508696821.db2.gz XLVNHZUMVBYPPZ-ZDUSSCGKSA-N 1 2 356.348 2.839 10 0 FFAELO COC(=O)[C@@H]1CCC[N@H+](Cc2nc(COc3cc(C)cc(C)c3)no2)C1 ZINC000154031829 508701922 /nfs/dbraw/zinc/70/19/22/508701922.db2.gz OCAXAAZEVDVLEP-OAHLLOKOSA-N 1 2 359.426 2.650 10 0 FFAELO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc(COc3cc(C)cc(C)c3)no2)C1 ZINC000154031829 508701926 /nfs/dbraw/zinc/70/19/26/508701926.db2.gz OCAXAAZEVDVLEP-OAHLLOKOSA-N 1 2 359.426 2.650 10 0 FFAELO CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C12CCCC2 ZINC000119090920 508723301 /nfs/dbraw/zinc/72/33/01/508723301.db2.gz UPIMTYUOURIVJA-DLBZAZTESA-N 1 2 359.470 2.833 10 0 FFAELO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000119100008 508725725 /nfs/dbraw/zinc/72/57/25/508725725.db2.gz LUNGTYSTOGHWRV-MRXNPFEDSA-N 1 2 364.453 2.724 10 0 FFAELO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000119100008 508725730 /nfs/dbraw/zinc/72/57/30/508725730.db2.gz LUNGTYSTOGHWRV-MRXNPFEDSA-N 1 2 364.453 2.724 10 0 FFAELO CCCCc1nnc(NC(=O)CN2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000136956502 508727739 /nfs/dbraw/zinc/72/77/39/508727739.db2.gz LGOPDBKERBHCPZ-AWEZNQCLSA-N 1 2 374.514 2.648 10 0 FFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCC2(C3CC3)CC2)c2cccs2)CCO1 ZINC000129748423 508761946 /nfs/dbraw/zinc/76/19/46/508761946.db2.gz SAQWCRSPEBFWDQ-HOCLYGCPSA-N 1 2 363.527 2.999 10 0 FFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)NCC2(C3CC3)CC2)c2cccs2)CCO1 ZINC000129748423 508761951 /nfs/dbraw/zinc/76/19/51/508761951.db2.gz SAQWCRSPEBFWDQ-HOCLYGCPSA-N 1 2 363.527 2.999 10 0 FFAELO CCCc1cc(=O)n2nc(NCCc3[nH]c4ccc(F)cc4[nH+]3)sc2n1 ZINC000158971725 508775582 /nfs/dbraw/zinc/77/55/82/508775582.db2.gz JWULADXORALDHV-UHFFFAOYSA-N 1 2 372.429 2.774 10 0 FFAELO C[C@H]1CCCN(c2cc(NCc3ccnc(O[C@@H]4CCOC4)c3)[nH+]cn2)C1 ZINC000124065874 508779003 /nfs/dbraw/zinc/77/90/03/508779003.db2.gz XSPNAPCQIJXZIW-DOTOQJQBSA-N 1 2 369.469 2.888 10 0 FFAELO C[C@H]1CCCN(c2cc(NCc3ccnc(O[C@@H]4CCOC4)c3)nc[nH+]2)C1 ZINC000124065874 508779008 /nfs/dbraw/zinc/77/90/08/508779008.db2.gz XSPNAPCQIJXZIW-DOTOQJQBSA-N 1 2 369.469 2.888 10 0 FFAELO COc1ccc([C@H](NC(=O)c2n[nH]c3c2CCCC3)c2[nH+]ccn2C)cc1 ZINC000119792717 508863467 /nfs/dbraw/zinc/86/34/67/508863467.db2.gz HTWJATJDLNUXRR-KRWDZBQOSA-N 1 2 365.437 2.550 10 0 FFAELO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000119947756 508895735 /nfs/dbraw/zinc/89/57/35/508895735.db2.gz RIXMXAQARIDAKO-CYBMUJFWSA-N 1 2 368.865 2.531 10 0 FFAELO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000119947756 508895738 /nfs/dbraw/zinc/89/57/38/508895738.db2.gz RIXMXAQARIDAKO-CYBMUJFWSA-N 1 2 368.865 2.531 10 0 FFAELO CC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000131283104 508910474 /nfs/dbraw/zinc/91/04/74/508910474.db2.gz LFRYIIUAIVMQPG-HZPDHXFCSA-N 1 2 351.516 2.871 10 0 FFAELO Cc1ncc(CN2CC[NH+]([C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)s1 ZINC000155062487 508915100 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Cc1cc(C[C@H](C)NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000120957151 509096550 /nfs/dbraw/zinc/09/65/50/509096550.db2.gz DAINQHNLWZAMSV-DZGCQCFKSA-N 1 2 352.442 2.895 10 0 FFAELO COC(=O)c1ccccc1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000161840549 509157257 /nfs/dbraw/zinc/15/72/57/509157257.db2.gz HNEWJRYQQYTPMI-UHFFFAOYSA-N 1 2 356.426 2.920 10 0 FFAELO COCCCOc1cccc(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC000121342079 509167991 /nfs/dbraw/zinc/16/79/91/509167991.db2.gz WIWPWUMYXGXAMM-MRXNPFEDSA-N 1 2 374.485 2.672 10 0 FFAELO CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507377 509199237 /nfs/dbraw/zinc/19/92/37/509199237.db2.gz XHDCRWRICJCQRV-UHFFFAOYSA-N 1 2 374.460 2.656 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C2(Cc3ccccc3)CC2)nc[nH+]1 ZINC000175919410 509215611 /nfs/dbraw/zinc/21/56/11/509215611.db2.gz RIIPIUDEZFDWDD-QGZVFWFLSA-N 1 2 365.481 2.626 10 0 FFAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C2(Cc3ccccc3)CC2)[nH+]cn1 ZINC000175919410 509215619 /nfs/dbraw/zinc/21/56/19/509215619.db2.gz RIIPIUDEZFDWDD-QGZVFWFLSA-N 1 2 365.481 2.626 10 0 FFAELO O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172757364 509217218 /nfs/dbraw/zinc/21/72/18/509217218.db2.gz KDTOXSMWAQRADN-HNNXBMFYSA-N 1 2 361.829 2.542 10 0 FFAELO O=C(c1ccc(C2SCCS2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172762061 509221124 /nfs/dbraw/zinc/22/11/24/509221124.db2.gz QFHWKYUZJSQFIK-MRXNPFEDSA-N 1 2 364.536 2.712 10 0 FFAELO C[C@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@@H]([NH+]5CCOCC5)C4)cc3c2C1 ZINC000172765701 509222193 /nfs/dbraw/zinc/22/21/93/509222193.db2.gz CJSFYCFTQUTMJU-DOTOQJQBSA-N 1 2 367.493 2.839 10 0 FFAELO O=C(NCc1ccn2cc[nH+]c2c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000179084169 509255073 /nfs/dbraw/zinc/25/50/73/509255073.db2.gz CXIVHVCEWCGEAN-PBHICJAKSA-N 1 2 372.375 2.630 10 0 FFAELO Cc1cc(NC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)no1 ZINC000248358109 509275681 /nfs/dbraw/zinc/27/56/81/509275681.db2.gz QIUCUFSXZBAYHP-QWHCGFSZSA-N 1 2 350.444 2.628 10 0 FFAELO Cc1cc(NC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)no1 ZINC000248358109 509275687 /nfs/dbraw/zinc/27/56/87/509275687.db2.gz QIUCUFSXZBAYHP-QWHCGFSZSA-N 1 2 350.444 2.628 10 0 FFAELO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000172897835 509298876 /nfs/dbraw/zinc/29/88/76/509298876.db2.gz LEGRDMVCNLIQEZ-CYBMUJFWSA-N 1 2 357.435 2.991 10 0 FFAELO COC(=O)[C@@H](NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000220627017 509302521 /nfs/dbraw/zinc/30/25/21/509302521.db2.gz SFVKTCCPWUTCNT-LRDDRELGSA-N 1 2 361.829 2.507 10 0 FFAELO COC(=O)[C@@H](NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000220627017 509302523 /nfs/dbraw/zinc/30/25/23/509302523.db2.gz SFVKTCCPWUTCNT-LRDDRELGSA-N 1 2 361.829 2.507 10 0 FFAELO C[C@H](NC(=O)NCCCc1cnn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176285145 509422309 /nfs/dbraw/zinc/42/23/09/509422309.db2.gz XFIDVGZUDSCKJL-HNNXBMFYSA-N 1 2 352.442 2.599 10 0 FFAELO Cc1cc(C(=O)C[NH+]2CCC(n3cncn3)CC2)c(C)n1Cc1ccco1 ZINC000176322382 509445097 /nfs/dbraw/zinc/44/50/97/509445097.db2.gz GHBRYLIOSJZVPD-UHFFFAOYSA-N 1 2 367.453 2.858 10 0 FFAELO C[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](c2[nH]cc(-c3ccccc3)[nH+]2)C1 ZINC000248724699 509453449 /nfs/dbraw/zinc/45/34/49/509453449.db2.gz PBTVVYDPWRCRAZ-DOTOQJQBSA-N 1 2 374.510 2.985 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Cl)cc2C)nc[nH+]1 ZINC000164435526 509502118 /nfs/dbraw/zinc/50/21/18/509502118.db2.gz OEIMTDRLITYPDL-AWEZNQCLSA-N 1 2 359.861 2.879 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Cl)cc2C)[nH+]cn1 ZINC000164435526 509502121 /nfs/dbraw/zinc/50/21/21/509502121.db2.gz OEIMTDRLITYPDL-AWEZNQCLSA-N 1 2 359.861 2.879 10 0 FFAELO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCCC3)nc2)cn1 ZINC000173312246 509525197 /nfs/dbraw/zinc/52/51/97/509525197.db2.gz MTTAQZOJMYNWTH-SFHVURJKSA-N 1 2 368.485 2.581 10 0 FFAELO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCCC3)nc2)cn1 ZINC000173312246 509525207 /nfs/dbraw/zinc/52/52/07/509525207.db2.gz MTTAQZOJMYNWTH-SFHVURJKSA-N 1 2 368.485 2.581 10 0 FFAELO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)NCCc2nc3ccccc3s2)cn1 ZINC000173313815 509525444 /nfs/dbraw/zinc/52/54/44/509525444.db2.gz MIPDQDQAGMFWBR-INIZCTEOSA-N 1 2 369.494 2.526 10 0 FFAELO Cn1cc(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)cn1 ZINC000186126349 509535137 /nfs/dbraw/zinc/53/51/37/509535137.db2.gz SKSUNSMMOQSLPD-INIZCTEOSA-N 1 2 358.243 2.852 10 0 FFAELO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000176506940 509551765 /nfs/dbraw/zinc/55/17/65/509551765.db2.gz JAESHBKKJJVYIV-RISCZKNCSA-N 1 2 374.815 2.734 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1cccc(F)c1 ZINC000176531800 509565974 /nfs/dbraw/zinc/56/59/74/509565974.db2.gz XJVGKSSBVMSFIP-KRWDZBQOSA-N 1 2 362.470 2.962 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)CCC1CCOCC1 ZINC000176542360 509573010 /nfs/dbraw/zinc/57/30/10/509573010.db2.gz MQBDKYWVGYMXBT-KRWDZBQOSA-N 1 2 366.527 2.787 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCCO2)[NH+]2CCOCC2)s1 ZINC000176549397 509576845 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COc1ccccc1COC1CC[NH+](Cc2nnc(C3CC3)n2C)CC1 ZINC000179754776 509606350 /nfs/dbraw/zinc/60/63/50/509606350.db2.gz UGCOKHTVAQXYFW-UHFFFAOYSA-N 1 2 356.470 2.882 10 0 FFAELO CCOc1c(F)cccc1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000173481311 509627462 /nfs/dbraw/zinc/62/74/62/509627462.db2.gz YCHXNSUDTOEZKJ-UHFFFAOYSA-N 1 2 374.460 2.533 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)C[C@H](O)c3ccccc3)CC2)cs1 ZINC000179815460 509635530 /nfs/dbraw/zinc/63/55/30/509635530.db2.gz SSBKWWMUWCCRPR-SFHVURJKSA-N 1 2 359.495 2.610 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)C[C@H](O)c3ccccc3)CC2)cs1 ZINC000179815460 509635536 /nfs/dbraw/zinc/63/55/36/509635536.db2.gz SSBKWWMUWCCRPR-SFHVURJKSA-N 1 2 359.495 2.610 10 0 FFAELO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCCNC1=O ZINC000192788552 509644745 /nfs/dbraw/zinc/64/47/45/509644745.db2.gz BFDCQIZSFMKOKU-CYBMUJFWSA-N 1 2 358.269 2.923 10 0 FFAELO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCCNC1=O ZINC000192788552 509644754 /nfs/dbraw/zinc/64/47/54/509644754.db2.gz BFDCQIZSFMKOKU-CYBMUJFWSA-N 1 2 358.269 2.923 10 0 FFAELO CC(C)Oc1ccc(CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)cn1 ZINC000186349935 509662815 /nfs/dbraw/zinc/66/28/15/509662815.db2.gz CJXYOIPYPFGSOO-UHFFFAOYSA-N 1 2 369.469 2.686 10 0 FFAELO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173622590 509680428 /nfs/dbraw/zinc/68/04/28/509680428.db2.gz RIROIHVKKUCRHU-UONOGXRCSA-N 1 2 357.458 2.691 10 0 FFAELO CC[N@@H+]1CC[C@H](NC(=O)NCC[C@@H](C)O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179964808 509690912 /nfs/dbraw/zinc/69/09/12/509690912.db2.gz FZCZKMUFPBONET-RLCCDNCMSA-N 1 2 357.857 2.685 10 0 FFAELO CC[N@H+]1CC[C@H](NC(=O)NCC[C@@H](C)O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179964808 509690914 /nfs/dbraw/zinc/69/09/14/509690914.db2.gz FZCZKMUFPBONET-RLCCDNCMSA-N 1 2 357.857 2.685 10 0 FFAELO C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249510878 509697520 /nfs/dbraw/zinc/69/75/20/509697520.db2.gz ZWGPLJLFNHSQBD-RDJZCZTQSA-N 1 2 370.505 2.630 10 0 FFAELO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249510878 509697523 /nfs/dbraw/zinc/69/75/23/509697523.db2.gz ZWGPLJLFNHSQBD-RDJZCZTQSA-N 1 2 370.505 2.630 10 0 FFAELO CCOc1ncc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000186418597 509699656 /nfs/dbraw/zinc/69/96/56/509699656.db2.gz ASGSZORFJJBWRD-UHFFFAOYSA-N 1 2 360.845 2.881 10 0 FFAELO COc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173652643 509700662 /nfs/dbraw/zinc/70/06/62/509700662.db2.gz BXLMKLRMMLGMBP-CQSZACIVSA-N 1 2 364.405 2.697 10 0 FFAELO C[C@H](NC(=O)C[N@@H+]1CCC[C@]12CCOC2=O)c1cccc2ccccc21 ZINC000249544558 509707208 /nfs/dbraw/zinc/70/72/08/509707208.db2.gz FWQPRXOXKHRXQK-YCRPNKLZSA-N 1 2 352.434 2.799 10 0 FFAELO C[C@H](NC(=O)C[N@H+]1CCC[C@]12CCOC2=O)c1cccc2ccccc21 ZINC000249544558 509707216 /nfs/dbraw/zinc/70/72/16/509707216.db2.gz FWQPRXOXKHRXQK-YCRPNKLZSA-N 1 2 352.434 2.799 10 0 FFAELO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@]2(C)C(=O)OC)cc1 ZINC000249568656 509715027 /nfs/dbraw/zinc/71/50/27/509715027.db2.gz NQUSNLPBKAJNGB-GHTZIAJQSA-N 1 2 374.481 2.776 10 0 FFAELO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@]2(C)C(=O)OC)cc1 ZINC000249568656 509715039 /nfs/dbraw/zinc/71/50/39/509715039.db2.gz NQUSNLPBKAJNGB-GHTZIAJQSA-N 1 2 374.481 2.776 10 0 FFAELO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173730492 509743711 /nfs/dbraw/zinc/74/37/11/509743711.db2.gz WQZBKKKYPRMGKY-CYBMUJFWSA-N 1 2 359.373 2.755 10 0 FFAELO Cc1noc([C@H](C)N2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)n1 ZINC000180101503 509752722 /nfs/dbraw/zinc/75/27/22/509752722.db2.gz YHZJEIWHNOEKDF-ZDUSSCGKSA-N 1 2 372.498 2.719 10 0 FFAELO O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)[C@H]1COCC[NH2+]1 ZINC000237868120 509757243 /nfs/dbraw/zinc/75/72/43/509757243.db2.gz CAZLXZDDEOGCNO-MRXNPFEDSA-N 1 2 362.376 2.806 10 0 FFAELO CCn1cc(NC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000176927310 509769900 /nfs/dbraw/zinc/76/99/00/509769900.db2.gz LOWGERLHUBQQLN-UKRRQHHQSA-N 1 2 363.487 2.548 10 0 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ZINC000176581752 509594654 /nfs/dbraw/zinc/59/46/54/509594654.db2.gz SGUOUXHYFJLVRZ-RDJZCZTQSA-N 1 2 374.506 2.965 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Cc2cccc(F)c2)nc[nH+]1 ZINC000173441257 509601668 /nfs/dbraw/zinc/60/16/68/509601668.db2.gz KTLDVABMQZJZCP-PBHICJAKSA-N 1 2 371.460 2.621 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Cc2cccc(F)c2)[nH+]cn1 ZINC000173441257 509601675 /nfs/dbraw/zinc/60/16/75/509601675.db2.gz KTLDVABMQZJZCP-PBHICJAKSA-N 1 2 371.460 2.621 10 0 FFAELO CCCc1nc(C)c(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)s1 ZINC000173446210 509605213 /nfs/dbraw/zinc/60/52/13/509605213.db2.gz BLNWIUPOBIDAFH-ZDUSSCGKSA-N 1 2 374.514 2.635 10 0 FFAELO CCCc1nc(C)c(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)s1 ZINC000173446210 509605220 /nfs/dbraw/zinc/60/52/20/509605220.db2.gz BLNWIUPOBIDAFH-ZDUSSCGKSA-N 1 2 374.514 2.635 10 0 FFAELO Cc1nc(-c2cccc(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)c2)cs1 ZINC000173471293 509620977 /nfs/dbraw/zinc/62/09/77/509620977.db2.gz ANZQYIFAZGROCH-KRWDZBQOSA-N 1 2 357.479 2.712 10 0 FFAELO Cc1nc(-c2cccc(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)c2)cs1 ZINC000173471293 509620983 /nfs/dbraw/zinc/62/09/83/509620983.db2.gz ANZQYIFAZGROCH-KRWDZBQOSA-N 1 2 357.479 2.712 10 0 FFAELO OC[C@@H]1CCCN1c1cc(NC[C@H]2CCN(c3ccc(F)cc3)C2)[nH+]cn1 ZINC000264649147 509623788 /nfs/dbraw/zinc/62/37/88/509623788.db2.gz HXJKWDZBMUPXDV-QAPCUYQASA-N 1 2 371.460 2.515 10 0 FFAELO OC[C@@H]1CCCN1c1cc(NC[C@H]2CCN(c3ccc(F)cc3)C2)nc[nH+]1 ZINC000264649147 509623799 /nfs/dbraw/zinc/62/37/99/509623799.db2.gz HXJKWDZBMUPXDV-QAPCUYQASA-N 1 2 371.460 2.515 10 0 FFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000167847277 509642705 /nfs/dbraw/zinc/64/27/05/509642705.db2.gz UZNKJICJGNGNSH-SWLSCSKDSA-N 1 2 357.458 2.993 10 0 FFAELO C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H](CO)O1 ZINC000249366704 509661332 /nfs/dbraw/zinc/66/13/32/509661332.db2.gz OLNZNJQECVKRRR-JXFKEZNVSA-N 1 2 364.449 2.516 10 0 FFAELO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H](CO)O1 ZINC000249366704 509661338 /nfs/dbraw/zinc/66/13/38/509661338.db2.gz OLNZNJQECVKRRR-JXFKEZNVSA-N 1 2 364.449 2.516 10 0 FFAELO O=C(CCC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000186374595 509677454 /nfs/dbraw/zinc/67/74/54/509677454.db2.gz IWPUXVHFKGDFBA-UHFFFAOYSA-N 1 2 355.413 2.923 10 0 FFAELO COc1ccccc1Nc1ccccc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000192893204 509688235 /nfs/dbraw/zinc/68/82/35/509688235.db2.gz NJGZJERKEUHDBO-INIZCTEOSA-N 1 2 369.465 2.889 10 0 FFAELO C[C@@H]1CCCN(c2cc(N3CC[C@H](OCc4ccncc4)C3)nc[nH+]2)C1 ZINC000192905713 509693167 /nfs/dbraw/zinc/69/31/67/509693167.db2.gz VEMIPJVWLFXGQH-AEFFLSMTSA-N 1 2 353.470 2.903 10 0 FFAELO C[C@@H]1CCCN(c2cc(N3CC[C@H](OCc4ccncc4)C3)[nH+]cn2)C1 ZINC000192905713 509693171 /nfs/dbraw/zinc/69/31/71/509693171.db2.gz VEMIPJVWLFXGQH-AEFFLSMTSA-N 1 2 353.470 2.903 10 0 FFAELO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)Cc1ccc(Cl)cc1 ZINC000179973183 509694467 /nfs/dbraw/zinc/69/44/67/509694467.db2.gz BFMYMURAKFTNAR-YJBOKZPZSA-N 1 2 350.890 2.842 10 0 FFAELO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186420756 509700291 /nfs/dbraw/zinc/70/02/91/509700291.db2.gz YNYWOKFZEFFOAN-KRWDZBQOSA-N 1 2 367.449 2.790 10 0 FFAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC000170651786 509700214 /nfs/dbraw/zinc/70/02/14/509700214.db2.gz JARIYGAGILCZCB-VQTJNVASSA-N 1 2 373.541 2.923 10 0 FFAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC000170651786 509700226 /nfs/dbraw/zinc/70/02/26/509700226.db2.gz JARIYGAGILCZCB-VQTJNVASSA-N 1 2 373.541 2.923 10 0 FFAELO COCCCOc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186446239 509713013 /nfs/dbraw/zinc/71/30/13/509713013.db2.gz LZLWNPFNRXLSSJ-UHFFFAOYSA-N 1 2 369.465 2.849 10 0 FFAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000249604517 509724776 /nfs/dbraw/zinc/72/47/76/509724776.db2.gz ZGSKFXSLDZXJBF-IXDGSTSKSA-N 1 2 372.490 2.986 10 0 FFAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000249604517 509724782 /nfs/dbraw/zinc/72/47/82/509724782.db2.gz ZGSKFXSLDZXJBF-IXDGSTSKSA-N 1 2 372.490 2.986 10 0 FFAELO CCCOc1ncccc1CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186492610 509736628 /nfs/dbraw/zinc/73/66/28/509736628.db2.gz HHTRFVMKLPOZPN-UHFFFAOYSA-N 1 2 369.469 2.687 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000176890086 509746766 /nfs/dbraw/zinc/74/67/66/509746766.db2.gz HCSOGAORZTWLLS-XMMPIXPASA-N 1 2 352.460 2.637 10 0 FFAELO COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189779855 509747286 /nfs/dbraw/zinc/74/72/86/509747286.db2.gz UCGFGMAIWAQOCH-KRWDZBQOSA-N 1 2 359.495 2.956 10 0 FFAELO COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189779855 509747295 /nfs/dbraw/zinc/74/72/95/509747295.db2.gz UCGFGMAIWAQOCH-KRWDZBQOSA-N 1 2 359.495 2.956 10 0 FFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000249742832 509750051 /nfs/dbraw/zinc/75/00/51/509750051.db2.gz KKWCZJAXOXNYAP-JQHSSLGASA-N 1 2 353.422 2.819 10 0 FFAELO COc1cc(Cl)c(C)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173776439 509771618 /nfs/dbraw/zinc/77/16/18/509771618.db2.gz QWXVWLWYRRGKAB-ZDUSSCGKSA-N 1 2 353.850 2.595 10 0 FFAELO CC(C)(C)c1ccc(CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173776858 509771664 /nfs/dbraw/zinc/77/16/64/509771664.db2.gz GYSFCXUXIZQPMT-IBGZPJMESA-N 1 2 359.514 2.643 10 0 FFAELO O=C(NCc1ccccc1OC1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173779876 509772933 /nfs/dbraw/zinc/77/29/33/509772933.db2.gz IYNZVHLQTXGUNL-SFHVURJKSA-N 1 2 373.497 2.624 10 0 FFAELO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc(C)c(F)cc3F)sc2C1 ZINC000176967668 509789999 /nfs/dbraw/zinc/78/99/99/509789999.db2.gz BCAFJQDLCUQZEQ-UHFFFAOYSA-N 1 2 373.450 2.909 10 0 FFAELO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc(C)c(F)cc3F)sc2C1 ZINC000176967668 509790007 /nfs/dbraw/zinc/79/00/07/509790007.db2.gz BCAFJQDLCUQZEQ-UHFFFAOYSA-N 1 2 373.450 2.909 10 0 FFAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000173839158 509808972 /nfs/dbraw/zinc/80/89/72/509808972.db2.gz GKVJEPWSZDURHL-MOPGFXCFSA-N 1 2 368.481 2.945 10 0 FFAELO CC(C)=CCOc1cccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173847070 509814365 /nfs/dbraw/zinc/81/43/65/509814365.db2.gz FXVHLVBWPDTUQZ-FXAWDEMLSA-N 1 2 358.482 2.824 10 0 FFAELO Cc1nc(-c2ccsc2)ccc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173866802 509823880 /nfs/dbraw/zinc/82/38/80/509823880.db2.gz UUNAZSREKUXNLT-KUHUBIRLSA-N 1 2 371.506 2.911 10 0 FFAELO CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(Nc3cccnn3)CC2)n1 ZINC000173883977 509834310 /nfs/dbraw/zinc/83/43/10/509834310.db2.gz ZKODCNAOIAKONJ-AWEZNQCLSA-N 1 2 360.462 2.670 10 0 FFAELO COc1cccc(C2(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)CCCC2)c1 ZINC000173889742 509837266 /nfs/dbraw/zinc/83/72/66/509837266.db2.gz LCYMBYVJXDNDDZ-YLJYHZDGSA-N 1 2 372.509 2.686 10 0 FFAELO CC1(C)CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c2ccccc21 ZINC000173906663 509846157 /nfs/dbraw/zinc/84/61/57/509846157.db2.gz WHJSKVRIRAXILP-LPHOPBHVSA-N 1 2 357.498 2.915 10 0 FFAELO Cc1cc(CN(C[C@@H]2C[N@H+](C)CCO2)C(=O)CCc2ccc(C)o2)c(C)[nH]1 ZINC000252539439 509850687 /nfs/dbraw/zinc/85/06/87/509850687.db2.gz NZEWUDNBERPQMZ-FQEVSTJZSA-N 1 2 373.497 2.825 10 0 FFAELO Cc1cc(CN(C[C@@H]2C[N@@H+](C)CCO2)C(=O)CCc2ccc(C)o2)c(C)[nH]1 ZINC000252539439 509850691 /nfs/dbraw/zinc/85/06/91/509850691.db2.gz NZEWUDNBERPQMZ-FQEVSTJZSA-N 1 2 373.497 2.825 10 0 FFAELO CCNC(=O)NC1(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000173919651 509855285 /nfs/dbraw/zinc/85/52/85/509855285.db2.gz WDZHMDDHFXOPAE-HNNXBMFYSA-N 1 2 369.469 2.681 10 0 FFAELO CN(c1cccnn1)C1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000170941110 509860155 /nfs/dbraw/zinc/86/01/55/509860155.db2.gz ISIHJNOEJXGVOJ-UHFFFAOYSA-N 1 2 362.275 2.735 10 0 FFAELO Cc1nn(C)c2ncc(C(=O)N[C@H](C)c3cccc(-n4cc[nH+]c4)c3)cc12 ZINC000173935000 509862089 /nfs/dbraw/zinc/86/20/89/509862089.db2.gz JDJSIQQXBFDOJS-CYBMUJFWSA-N 1 2 360.421 2.953 10 0 FFAELO C[C@H](NC(=O)CNC(=O)NC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946063 509868663 /nfs/dbraw/zinc/86/86/63/509868663.db2.gz SXULNUVBSYJTIR-HNNXBMFYSA-N 1 2 369.469 2.681 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000245199491 509879514 /nfs/dbraw/zinc/87/95/14/509879514.db2.gz DNIJTRJWERUUCQ-WIYYLYMNSA-N 1 2 357.498 2.635 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000245199491 509879521 /nfs/dbraw/zinc/87/95/21/509879521.db2.gz DNIJTRJWERUUCQ-WIYYLYMNSA-N 1 2 357.498 2.635 10 0 FFAELO CCC[C@H]1c2[nH+]ccn2CCCN1C(=O)Cn1c(=O)oc2ccccc21 ZINC000253415112 509880922 /nfs/dbraw/zinc/88/09/22/509880922.db2.gz ZRDGUEAVRPTTGU-HNNXBMFYSA-N 1 2 354.410 2.565 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000245200664 509881720 /nfs/dbraw/zinc/88/17/20/509881720.db2.gz LRFYFNQRAPMQJC-TZMCWYRMSA-N 1 2 353.413 2.673 10 0 FFAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000245200664 509881729 /nfs/dbraw/zinc/88/17/29/509881729.db2.gz LRFYFNQRAPMQJC-TZMCWYRMSA-N 1 2 353.413 2.673 10 0 FFAELO COc1ccc(-n2nc(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2C)cc1 ZINC000180369822 509889590 /nfs/dbraw/zinc/88/95/90/509889590.db2.gz FCFMPDDQJGGPTJ-QGZVFWFLSA-N 1 2 365.437 2.691 10 0 FFAELO O=C(c1ccc(F)c(F)c1F)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177199650 509933170 /nfs/dbraw/zinc/93/31/70/509933170.db2.gz ZHBAHUNRCXNIJF-MRXNPFEDSA-N 1 2 364.367 2.595 10 0 FFAELO NC(=O)CCSc1ccccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180465390 509938126 /nfs/dbraw/zinc/93/81/26/509938126.db2.gz GNTYNAZWBWQNCN-CQSZACIVSA-N 1 2 373.482 2.547 10 0 FFAELO CCn1cnnc1[C@H]1CCC[N@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000245485235 509962071 /nfs/dbraw/zinc/96/20/71/509962071.db2.gz JACDCPFPZQCKSN-GJZGRUSLSA-N 1 2 362.478 2.794 10 0 FFAELO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000245485235 509962076 /nfs/dbraw/zinc/96/20/76/509962076.db2.gz JACDCPFPZQCKSN-GJZGRUSLSA-N 1 2 362.478 2.794 10 0 FFAELO COC(=O)CCCCCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174214490 510007322 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FFAELO CNC(=O)c1noc(C[N@H+]2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)n1 ZINC000072147334 507758447 /nfs/dbraw/zinc/75/84/47/507758447.db2.gz GANLHMINUIRNBC-INIZCTEOSA-N 1 2 357.458 2.629 10 0 FFAELO CCCCc1ccc(C(=O)CCC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000052610476 507815586 /nfs/dbraw/zinc/81/55/86/507815586.db2.gz AADFDUDPKSTOQG-QGZVFWFLSA-N 1 2 360.498 2.829 10 0 FFAELO O=C(CN1CC[NH+](Cc2ccc3ccccc3n2)CC1)Nc1ccccc1 ZINC000073458426 507922934 /nfs/dbraw/zinc/92/29/34/507922934.db2.gz PLVLUKWXBDIXKG-UHFFFAOYSA-N 1 2 360.461 2.991 10 0 FFAELO C[C@H](CNC(=O)N1CCC(Cc2cccc(F)c2)CC1)[NH+]1CCOCC1 ZINC000079251926 507947438 /nfs/dbraw/zinc/94/74/38/507947438.db2.gz SYEBPKUQALVOEK-MRXNPFEDSA-N 1 2 363.477 2.511 10 0 FFAELO O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000073866240 507961837 /nfs/dbraw/zinc/96/18/37/507961837.db2.gz XDTUUQZKOXHYAV-SJLPKXTDSA-N 1 2 363.889 2.834 10 0 FFAELO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000073866242 507961866 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C[C@@H](CNC(=O)N1CCC[C@H]1c1ccccc1Cl)[NH+]1CCOCC1 ZINC000079981886 508022388 /nfs/dbraw/zinc/02/23/88/508022388.db2.gz XSFMDCTXAHEZNV-YOEHRIQHSA-N 1 2 351.878 2.907 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)OCc3ccccc3)CC2)s1 ZINC000110939703 508057617 /nfs/dbraw/zinc/05/76/17/508057617.db2.gz LBVMYBMBXXLDPE-HNNXBMFYSA-N 1 2 359.495 2.701 10 0 FFAELO CCc1ccccc1OCC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000110940876 508057856 /nfs/dbraw/zinc/05/78/56/508057856.db2.gz HXISMLCNCQTHJZ-UHFFFAOYSA-N 1 2 359.495 2.737 10 0 FFAELO CC(C)[C@@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)c1nc(-c2cccnc2)no1 ZINC000080614295 508088803 /nfs/dbraw/zinc/08/88/03/508088803.db2.gz HBDKYYXLDYJABW-LSDHHAIUSA-N 1 2 366.425 2.719 10 0 FFAELO CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1CCC[C@@H](CC(N)=O)C1 ZINC000080682145 508094268 /nfs/dbraw/zinc/09/42/68/508094268.db2.gz BKWQBLRBKRHMNQ-AWEZNQCLSA-N 1 2 355.438 2.812 10 0 FFAELO Cc1cnn([C@H]2CCCN(C(=O)NCCn3c(C)[nH+]c4ccccc43)C2)c1 ZINC000111806174 508124005 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CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000083066756 508236195 /nfs/dbraw/zinc/23/61/95/508236195.db2.gz ZSSHWXAGWMKGPG-LBPRGKRZSA-N 1 2 369.874 2.807 10 0 FFAELO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114202371 508298863 /nfs/dbraw/zinc/29/88/63/508298863.db2.gz IKNKTWUWMXZOEZ-KRWDZBQOSA-N 1 2 356.426 2.670 10 0 FFAELO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114202371 508298864 /nfs/dbraw/zinc/29/88/64/508298864.db2.gz IKNKTWUWMXZOEZ-KRWDZBQOSA-N 1 2 356.426 2.670 10 0 FFAELO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3nc4cc(F)ccc4o3)CC2)C1 ZINC000114446601 508315084 /nfs/dbraw/zinc/31/50/84/508315084.db2.gz MKULAVLZVKRWAU-GJZGRUSLSA-N 1 2 374.460 2.593 10 0 FFAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(Br)cn1 ZINC000114483549 508320880 /nfs/dbraw/zinc/32/08/80/508320880.db2.gz VLNLCOXDSCIZPX-CYBMUJFWSA-N 1 2 364.247 2.733 10 0 FFAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(Br)cn1 ZINC000114483549 508320882 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FFAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 ZINC000105279600 508368242 /nfs/dbraw/zinc/36/82/42/508368242.db2.gz HOJLMFPZWOXAQF-LJQANCHMSA-N 1 2 373.428 2.857 10 0 FFAELO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000115161124 508373230 /nfs/dbraw/zinc/37/32/30/508373230.db2.gz OOSRKFJEOVRXKU-LPHOPBHVSA-N 1 2 368.481 2.845 10 0 FFAELO Cc1ncc(C[NH+]2CCN(CC(=O)Nc3cc(C)cc(C)c3)CC2)s1 ZINC000106091193 508392476 /nfs/dbraw/zinc/39/24/76/508392476.db2.gz HNCRTPTUOAOJBL-UHFFFAOYSA-N 1 2 358.511 2.825 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)s1 ZINC000106091396 508393331 /nfs/dbraw/zinc/39/33/31/508393331.db2.gz KGAJFIMBSNMWOV-HDMKZQKVSA-N 1 2 364.559 2.653 10 0 FFAELO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000106193916 508397598 /nfs/dbraw/zinc/39/75/98/508397598.db2.gz AGLZSIAOTXAJPX-OAHLLOKOSA-N 1 2 369.421 2.707 10 0 FFAELO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000106193916 508397599 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O=S(=O)(c1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)o1)N1CCCC1 ZINC000116290484 508495015 /nfs/dbraw/zinc/49/50/15/508495015.db2.gz FINJNIPLSUMESN-OAHLLOKOSA-N 1 2 350.440 2.994 10 0 FFAELO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122202870 508497663 /nfs/dbraw/zinc/49/76/63/508497663.db2.gz APZNMTWKUBOVRQ-IBGZPJMESA-N 1 2 351.454 2.587 10 0 FFAELO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122202870 508497669 /nfs/dbraw/zinc/49/76/69/508497669.db2.gz APZNMTWKUBOVRQ-IBGZPJMESA-N 1 2 351.454 2.587 10 0 FFAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCc3cccc(C)n3)CC2)cs1 ZINC000116422406 508511562 /nfs/dbraw/zinc/51/15/62/508511562.db2.gz KHMVGTHJSRYYJZ-UHFFFAOYSA-N 1 2 359.499 2.572 10 0 FFAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCc3cccc(C)n3)CC2)cs1 ZINC000116422406 508511566 /nfs/dbraw/zinc/51/15/66/508511566.db2.gz KHMVGTHJSRYYJZ-UHFFFAOYSA-N 1 2 359.499 2.572 10 0 FFAELO Cc1ccc(-c2cncc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)c2)cc1 ZINC000134284128 508516089 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FFAELO C[C@H](NC(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 ZINC000128069019 508542969 /nfs/dbraw/zinc/54/29/69/508542969.db2.gz MFSICTVQEWYOQC-ILXRZTDVSA-N 1 2 357.420 2.821 10 0 FFAELO CCn1cc[nH+]c1C[S@@](=O)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000128141954 508552999 /nfs/dbraw/zinc/55/29/99/508552999.db2.gz OZDNPGXOAHFOJS-YDBLSZJJSA-N 1 2 360.439 2.972 10 0 FFAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)n1 ZINC000122591440 508559053 /nfs/dbraw/zinc/55/90/53/508559053.db2.gz YHMPDGWPHONVMU-QGZVFWFLSA-N 1 2 369.444 2.930 10 0 FFAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)n1 ZINC000122591440 508559058 /nfs/dbraw/zinc/55/90/58/508559058.db2.gz YHMPDGWPHONVMU-QGZVFWFLSA-N 1 2 369.444 2.930 10 0 FFAELO CC[C@@H](CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C(C)C ZINC000117312290 508592399 /nfs/dbraw/zinc/59/23/99/508592399.db2.gz RMNUIUZRUQGLKZ-RBUKOAKNSA-N 1 2 362.514 2.643 10 0 FFAELO C[C@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000128465515 508597019 /nfs/dbraw/zinc/59/70/19/508597019.db2.gz QGXCXLNUKPDZTK-XHDPSFHLSA-N 1 2 360.351 2.637 10 0 FFAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000135692397 508641171 /nfs/dbraw/zinc/64/11/71/508641171.db2.gz HALGIKLIONULFN-VQIMIIECSA-N 1 2 372.444 2.514 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)N(C)CCC2CC2)[NH+]2CCOCC2)s1 ZINC000123172306 508646758 /nfs/dbraw/zinc/64/67/58/508646758.db2.gz WRSDKUWWHWSAOV-MRXNPFEDSA-N 1 2 351.516 2.871 10 0 FFAELO CCc1nnc([C@@H]2C[N@H+](Cc3ccc(OC)c(OC(F)F)c3)CCO2)[nH]1 ZINC000129117931 508686110 /nfs/dbraw/zinc/68/61/10/508686110.db2.gz XDXASVPZSWCOOH-AWEZNQCLSA-N 1 2 368.384 2.551 10 0 FFAELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccc(OC)c(OC(F)F)c3)CCO2)[nH]1 ZINC000129117931 508686113 /nfs/dbraw/zinc/68/61/13/508686113.db2.gz XDXASVPZSWCOOH-AWEZNQCLSA-N 1 2 368.384 2.551 10 0 FFAELO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000371455615 512411854 /nfs/dbraw/zinc/41/18/54/512411854.db2.gz DRRCEEBXECVNOK-MRXNPFEDSA-N 1 2 353.426 2.688 10 0 FFAELO Cc1ccc([C@@H](CNC(=O)NCc2cncc(C)c2)[NH+]2CCOCC2)s1 ZINC000119085190 508722288 /nfs/dbraw/zinc/72/22/88/508722288.db2.gz LOJXJWVZBVKLKX-QGZVFWFLSA-N 1 2 374.510 2.633 10 0 FFAELO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000159016995 508781848 /nfs/dbraw/zinc/78/18/48/508781848.db2.gz OCIRAGAITYSCLC-PXNSSMCTSA-N 1 2 361.438 2.548 10 0 FFAELO COc1ccccc1COC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000159016995 508781854 /nfs/dbraw/zinc/78/18/54/508781854.db2.gz OCIRAGAITYSCLC-PXNSSMCTSA-N 1 2 361.438 2.548 10 0 FFAELO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1C ZINC000154636831 508823649 /nfs/dbraw/zinc/82/36/49/508823649.db2.gz OYSNRQLYNDDDNQ-INIZCTEOSA-N 1 2 371.437 2.539 10 0 FFAELO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1C ZINC000154636831 508823653 /nfs/dbraw/zinc/82/36/53/508823653.db2.gz OYSNRQLYNDDDNQ-INIZCTEOSA-N 1 2 371.437 2.539 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3cnc4ccccc4c3)CC2)s1 ZINC000130836312 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CCCN(C)S(=O)(=O)N1CCC[C@H](c2[nH]cc(-c3ccccc3)[nH+]2)C1 ZINC000120604284 509030008 /nfs/dbraw/zinc/03/00/08/509030008.db2.gz OVWCMCVVNUJCRE-INIZCTEOSA-N 1 2 362.499 2.843 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC(c2cccs2)c2cccs2)C1 ZINC000125794450 509030370 /nfs/dbraw/zinc/03/03/70/509030370.db2.gz SNYIVFGXECEINO-LBPRGKRZSA-N 1 2 351.497 2.529 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)NC(c2cccs2)c2cccs2)C1 ZINC000125794450 509030375 /nfs/dbraw/zinc/03/03/75/509030375.db2.gz SNYIVFGXECEINO-LBPRGKRZSA-N 1 2 351.497 2.529 10 0 FFAELO O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132474625 509036985 /nfs/dbraw/zinc/03/69/85/509036985.db2.gz NELSZZSBMMZUBP-SFHVURJKSA-N 1 2 364.405 2.576 10 0 FFAELO O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132474625 509036988 /nfs/dbraw/zinc/03/69/88/509036988.db2.gz NELSZZSBMMZUBP-SFHVURJKSA-N 1 2 364.405 2.576 10 0 FFAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)n1 ZINC000121253270 509158153 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ZINC000107063993 507834634 /nfs/dbraw/zinc/83/46/34/507834634.db2.gz IXEJTUBHVGDLTO-GFCCVEGCSA-N 1 2 370.852 2.711 10 0 FFAELO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2Cl)CC1 ZINC000107063993 507834637 /nfs/dbraw/zinc/83/46/37/507834637.db2.gz IXEJTUBHVGDLTO-GFCCVEGCSA-N 1 2 370.852 2.711 10 0 FFAELO C[C@H](CNC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1)[NH+]1CCOCC1 ZINC000107331052 507844545 /nfs/dbraw/zinc/84/45/45/507844545.db2.gz FRJQWSVPNZIIPW-CABCVRRESA-N 1 2 374.510 2.891 10 0 FFAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cn1 ZINC000107596438 507858983 /nfs/dbraw/zinc/85/89/83/507858983.db2.gz LOERPLHYSGSURM-UHFFFAOYSA-N 1 2 351.454 2.732 10 0 FFAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cn1 ZINC000107596438 507858984 /nfs/dbraw/zinc/85/89/84/507858984.db2.gz LOERPLHYSGSURM-UHFFFAOYSA-N 1 2 351.454 2.732 10 0 FFAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000078502739 507877759 /nfs/dbraw/zinc/87/77/59/507877759.db2.gz OYBOCPPQADJQJZ-LRDDRELGSA-N 1 2 369.400 2.726 10 0 FFAELO Cc1cc(C)n(C[C@@H]2CN(c3cc(C)[nH+]c(-c4ccncc4)n3)CCO2)n1 ZINC000108950604 507928061 /nfs/dbraw/zinc/92/80/61/507928061.db2.gz DDUNMTOMRVSSBF-SFHVURJKSA-N 1 2 364.453 2.566 10 0 FFAELO CCOc1cccc(C(=O)N2CCC[N@H+](Cc3cnn(CC)c3)CC2)c1 ZINC000109660550 507977451 /nfs/dbraw/zinc/97/74/51/507977451.db2.gz DVWLQYWHPKUYDB-UHFFFAOYSA-N 1 2 356.470 2.650 10 0 FFAELO CCOc1cccc(C(=O)N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)c1 ZINC000109660550 507977454 /nfs/dbraw/zinc/97/74/54/507977454.db2.gz DVWLQYWHPKUYDB-UHFFFAOYSA-N 1 2 356.470 2.650 10 0 FFAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(F)cc(F)c3)CC2)cn1 ZINC000109665413 507978368 /nfs/dbraw/zinc/97/83/68/507978368.db2.gz DTOYVFJPMYXYFL-UHFFFAOYSA-N 1 2 362.424 2.919 10 0 FFAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cc(F)cc(F)c3)CC2)cn1 ZINC000109665413 507978369 /nfs/dbraw/zinc/97/83/69/507978369.db2.gz DTOYVFJPMYXYFL-UHFFFAOYSA-N 1 2 362.424 2.919 10 0 FFAELO Cc1ccc(Cl)cc1NC(=O)CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000109821504 507990314 /nfs/dbraw/zinc/99/03/14/507990314.db2.gz OEILGXGHJBQEOF-KRWDZBQOSA-N 1 2 365.905 2.774 10 0 FFAELO CC(=O)c1cccc(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000110031910 508002355 /nfs/dbraw/zinc/00/23/55/508002355.db2.gz SISPTLKRMCAFBC-HXUWFJFHSA-N 1 2 367.449 2.772 10 0 FFAELO C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875624 508066980 /nfs/dbraw/zinc/06/69/80/508066980.db2.gz YLKLCXPAPGGHNO-GKCIPKSASA-N 1 2 362.433 2.891 10 0 FFAELO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)OC1CCOCC1)CC2 ZINC000377651010 512376544 /nfs/dbraw/zinc/37/65/44/512376544.db2.gz MJFTWVDCVLLMGC-HNNXBMFYSA-N 1 2 365.499 2.745 10 0 FFAELO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)OC1CCOCC1)CC2 ZINC000377651010 512376550 /nfs/dbraw/zinc/37/65/50/512376550.db2.gz MJFTWVDCVLLMGC-HNNXBMFYSA-N 1 2 365.499 2.745 10 0 FFAELO CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111837382 508127633 /nfs/dbraw/zinc/12/76/33/508127633.db2.gz GQBARABADNBEEJ-UHFFFAOYSA-N 1 2 374.510 2.878 10 0 FFAELO COCc1cc(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)ncn1 ZINC000093311353 508137688 /nfs/dbraw/zinc/13/76/88/508137688.db2.gz LZWAXYGIWYGGLR-CYBMUJFWSA-N 1 2 352.398 2.691 10 0 FFAELO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cs2)ccc1O ZINC000112343235 508176858 /nfs/dbraw/zinc/17/68/58/508176858.db2.gz OAACTGQWMPEXOG-HNNXBMFYSA-N 1 2 371.466 2.953 10 0 FFAELO COc1cc(-c2nc(C[N@H+]3CCC[C@H](n4cncn4)C3)cs2)ccc1O ZINC000112343235 508176859 /nfs/dbraw/zinc/17/68/59/508176859.db2.gz OAACTGQWMPEXOG-HNNXBMFYSA-N 1 2 371.466 2.953 10 0 FFAELO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351613 508177250 /nfs/dbraw/zinc/17/72/50/508177250.db2.gz XNUHHKDYDDIMBQ-INIZCTEOSA-N 1 2 371.506 2.601 10 0 FFAELO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351613 508177251 /nfs/dbraw/zinc/17/72/51/508177251.db2.gz XNUHHKDYDDIMBQ-INIZCTEOSA-N 1 2 371.506 2.601 10 0 FFAELO COCCOc1ccccc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112663902 508206995 /nfs/dbraw/zinc/20/69/95/508206995.db2.gz CSSOPUHMYPFGGT-UHFFFAOYSA-N 1 2 357.454 2.767 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@@H](C)c3nc(-c4cccnc4)no3)CC2)s1 ZINC000112981112 508237027 /nfs/dbraw/zinc/23/70/27/508237027.db2.gz KGLIDBRDOPFKCP-ZDUSSCGKSA-N 1 2 370.482 2.775 10 0 FFAELO C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076661894 508238628 /nfs/dbraw/zinc/23/86/28/508238628.db2.gz JJKTVIOHRSHYRX-CYBMUJFWSA-N 1 2 352.369 2.827 10 0 FFAELO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1C ZINC000114201204 508299350 /nfs/dbraw/zinc/29/93/50/508299350.db2.gz LXDUJUJOQWMPMI-QGZVFWFLSA-N 1 2 355.442 2.902 10 0 FFAELO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1C ZINC000114201204 508299354 /nfs/dbraw/zinc/29/93/54/508299354.db2.gz LXDUJUJOQWMPMI-QGZVFWFLSA-N 1 2 355.442 2.902 10 0 FFAELO C[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1)[NH+]1CCOCC1 ZINC000087035886 508333092 /nfs/dbraw/zinc/33/30/92/508333092.db2.gz FUWRMFHPTNGXHC-JXFKEZNVSA-N 1 2 371.456 2.935 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(Br)ccc1Cl ZINC000114855548 508354692 /nfs/dbraw/zinc/35/46/92/508354692.db2.gz POTSGEKAFRQSRJ-GFCCVEGCSA-N 1 2 373.678 2.696 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(Br)ccc1Cl ZINC000114855548 508354694 /nfs/dbraw/zinc/35/46/94/508354694.db2.gz POTSGEKAFRQSRJ-GFCCVEGCSA-N 1 2 373.678 2.696 10 0 FFAELO Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H]3OCCc4ccccc43)CC2)s1 ZINC000115379210 508389323 /nfs/dbraw/zinc/38/93/23/508389323.db2.gz HSOPEJDIGHNAIM-IBGZPJMESA-N 1 2 371.506 2.800 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccccc3Br)CCO2)c1 ZINC000106198805 508397560 /nfs/dbraw/zinc/39/75/60/508397560.db2.gz IBQMSGJDEPKYCI-HNNXBMFYSA-N 1 2 350.260 2.855 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccccc3Br)CCO2)c1 ZINC000106198805 508397561 /nfs/dbraw/zinc/39/75/61/508397561.db2.gz IBQMSGJDEPKYCI-HNNXBMFYSA-N 1 2 350.260 2.855 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1CCc3sccc3C1)C2 ZINC000106372843 508399971 /nfs/dbraw/zinc/39/99/71/508399971.db2.gz CQSWZPAMGVIOKK-UHFFFAOYSA-N 1 2 358.511 2.548 10 0 FFAELO O=c1nc(CN2CC[C@H](Oc3cc[nH+]cc3)C2)[nH]c2sc3c(c21)CCC3 ZINC000156387373 508412590 /nfs/dbraw/zinc/41/25/90/508412590.db2.gz CXSRBNDPUGEUTM-ZDUSSCGKSA-N 1 2 368.462 2.522 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Cl)c(F)c2)nc[nH+]1 ZINC000156424133 508418941 /nfs/dbraw/zinc/41/89/41/508418941.db2.gz SFJDTWBFDWMJPG-LBPRGKRZSA-N 1 2 363.824 2.710 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Cl)c(F)c2)[nH+]cn1 ZINC000156424133 508418942 /nfs/dbraw/zinc/41/89/42/508418942.db2.gz SFJDTWBFDWMJPG-LBPRGKRZSA-N 1 2 363.824 2.710 10 0 FFAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCC1(C2CC2)CC1 ZINC000152351021 508429731 /nfs/dbraw/zinc/42/97/31/508429731.db2.gz UCBCEVFNPQNWKK-INIZCTEOSA-N 1 2 363.527 2.953 10 0 FFAELO COCc1ccccc1NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115756432 508434321 /nfs/dbraw/zinc/43/43/21/508434321.db2.gz LNOSIVGDHMQBHD-UHFFFAOYSA-N 1 2 371.485 2.533 10 0 FFAELO O=c1[nH]c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)nc2ccc(Cl)cc21 ZINC000152453451 508449426 /nfs/dbraw/zinc/44/94/26/508449426.db2.gz BHXMGNNESICIMD-AWEZNQCLSA-N 1 2 356.813 2.625 10 0 FFAELO O=c1[nH]c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)nc2ccc(Cl)cc21 ZINC000152453451 508449428 /nfs/dbraw/zinc/44/94/28/508449428.db2.gz BHXMGNNESICIMD-AWEZNQCLSA-N 1 2 356.813 2.625 10 0 FFAELO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1C ZINC000152522909 508463267 /nfs/dbraw/zinc/46/32/67/508463267.db2.gz GLHLPVLLCWNEBV-MRXNPFEDSA-N 1 2 371.437 2.539 10 0 FFAELO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1C ZINC000152522909 508463269 /nfs/dbraw/zinc/46/32/69/508463269.db2.gz GLHLPVLLCWNEBV-MRXNPFEDSA-N 1 2 371.437 2.539 10 0 FFAELO CC(C)(C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C1CCCC1 ZINC000122116563 508483844 /nfs/dbraw/zinc/48/38/44/508483844.db2.gz WOLZNDYERPKBAS-IBGZPJMESA-N 1 2 374.525 2.787 10 0 FFAELO NC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)sc2c1CCC2 ZINC000116293026 508496167 /nfs/dbraw/zinc/49/61/67/508496167.db2.gz CFIWHRVTHLXDEK-GFCCVEGCSA-N 1 2 359.451 2.704 10 0 FFAELO NC(=O)c1c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)sc2c1CCC2 ZINC000116293026 508496171 /nfs/dbraw/zinc/49/61/71/508496171.db2.gz CFIWHRVTHLXDEK-GFCCVEGCSA-N 1 2 359.451 2.704 10 0 FFAELO Cc1cc(F)c(S(=O)(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1F ZINC000122233386 508503527 /nfs/dbraw/zinc/50/35/27/508503527.db2.gz CFXNFRXIISXVAI-UHFFFAOYSA-N 1 2 369.437 2.877 10 0 FFAELO CCCCOc1cc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1OC ZINC000122229521 508503588 /nfs/dbraw/zinc/50/35/88/508503588.db2.gz FWAHPCPBTRRVFM-GOSISDBHSA-N 1 2 359.470 2.972 10 0 FFAELO CCCCOc1cc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1OC ZINC000122229521 508503591 /nfs/dbraw/zinc/50/35/91/508503591.db2.gz FWAHPCPBTRRVFM-GOSISDBHSA-N 1 2 359.470 2.972 10 0 FFAELO Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000122266733 508509452 /nfs/dbraw/zinc/50/94/52/508509452.db2.gz ISNYKCDXISSCPZ-KRWDZBQOSA-N 1 2 357.845 2.828 10 0 FFAELO Clc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000122266733 508509457 /nfs/dbraw/zinc/50/94/57/508509457.db2.gz ISNYKCDXISSCPZ-KRWDZBQOSA-N 1 2 357.845 2.828 10 0 FFAELO CCn1cc[nH+]c1CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152893097 508529414 /nfs/dbraw/zinc/52/94/14/508529414.db2.gz RUTKEEZSBBPINK-UHFFFAOYSA-N 1 2 351.454 2.876 10 0 FFAELO CCCOc1ccc(C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1OC ZINC000122460834 508538673 /nfs/dbraw/zinc/53/86/73/508538673.db2.gz MHZCJTZTQPUTJF-GOSISDBHSA-N 1 2 359.470 2.890 10 0 FFAELO CCCOc1ccc(C[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1OC ZINC000122460834 508538678 /nfs/dbraw/zinc/53/86/78/508538678.db2.gz MHZCJTZTQPUTJF-GOSISDBHSA-N 1 2 359.470 2.890 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)CCO2)n1 ZINC000122659440 508568247 /nfs/dbraw/zinc/56/82/47/508568247.db2.gz GJOHIVWWFTYAAW-FQEVSTJZSA-N 1 2 369.444 2.726 10 0 FFAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)CCO2)n1 ZINC000122659440 508568251 /nfs/dbraw/zinc/56/82/51/508568251.db2.gz GJOHIVWWFTYAAW-FQEVSTJZSA-N 1 2 369.444 2.726 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)c2sccc2Br)C[C@@H]1C ZINC000117280709 508587526 /nfs/dbraw/zinc/58/75/26/508587526.db2.gz BAFVJWQJBMKWBM-NSHDSACASA-N 1 2 361.305 2.693 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)c2sccc2Br)C[C@@H]1C ZINC000117280709 508587527 /nfs/dbraw/zinc/58/75/27/508587527.db2.gz BAFVJWQJBMKWBM-NSHDSACASA-N 1 2 361.305 2.693 10 0 FFAELO CCOCC[N@@H+]1CCN(C(=O)CCC(=O)c2ccc(C)s2)C[C@H]1C ZINC000117282919 508588347 /nfs/dbraw/zinc/58/83/47/508588347.db2.gz YBZBNJAAHJFSDR-CQSZACIVSA-N 1 2 352.500 2.589 10 0 FFAELO CCOCC[N@H+]1CCN(C(=O)CCC(=O)c2ccc(C)s2)C[C@H]1C ZINC000117282919 508588348 /nfs/dbraw/zinc/58/83/48/508588348.db2.gz YBZBNJAAHJFSDR-CQSZACIVSA-N 1 2 352.500 2.589 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)C[C@H]1C ZINC000117285970 508588350 /nfs/dbraw/zinc/58/83/50/508588350.db2.gz ODFCHANRPXUGOS-CYBMUJFWSA-N 1 2 363.845 2.788 10 0 FFAELO COCC[N@H+]1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)C[C@H]1C ZINC000117285970 508588351 /nfs/dbraw/zinc/58/83/51/508588351.db2.gz ODFCHANRPXUGOS-CYBMUJFWSA-N 1 2 363.845 2.788 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2sc(-c3cccs3)nc2C)C[C@@H]1C ZINC000117287869 508589622 /nfs/dbraw/zinc/58/96/22/508589622.db2.gz UOYPREAQSWRZLQ-LBPRGKRZSA-N 1 2 365.524 2.973 10 0 FFAELO COCC[N@H+]1CCN(C(=O)c2sc(-c3cccs3)nc2C)C[C@@H]1C ZINC000117287869 508589628 /nfs/dbraw/zinc/58/96/28/508589628.db2.gz UOYPREAQSWRZLQ-LBPRGKRZSA-N 1 2 365.524 2.973 10 0 FFAELO CC[C@H](C)n1ncc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1C1CC1 ZINC000128776483 508641733 /nfs/dbraw/zinc/64/17/33/508641733.db2.gz RNIUQMOGCVDJEQ-RVKKMQEKSA-N 1 2 360.502 2.524 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Cl)c2F)nc[nH+]1 ZINC000158007888 508644176 /nfs/dbraw/zinc/64/41/76/508644176.db2.gz NENHYTUXDDILHZ-NSHDSACASA-N 1 2 363.824 2.710 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Cl)c2F)[nH+]cn1 ZINC000158007888 508644178 /nfs/dbraw/zinc/64/41/78/508644178.db2.gz NENHYTUXDDILHZ-NSHDSACASA-N 1 2 363.824 2.710 10 0 FFAELO C[C@H]1CN(C(=O)c2cncc(-c3ccccc3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000136002469 508664277 /nfs/dbraw/zinc/66/42/77/508664277.db2.gz XOPWVKVEWXQUKC-JXFKEZNVSA-N 1 2 351.450 2.541 10 0 FFAELO CN1CC[C@@H](CNc2[nH+]cnc3c2cnn3-c2ncccn2)c2ccccc21 ZINC000119052456 508714675 /nfs/dbraw/zinc/71/46/75/508714675.db2.gz JQSLFDJQKVVLMX-AWEZNQCLSA-N 1 2 372.436 2.641 10 0 FFAELO C[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000154146270 508725865 /nfs/dbraw/zinc/72/58/65/508725865.db2.gz OALCACTXTLNFNJ-OAHLLOKOSA-N 1 2 354.454 2.889 10 0 FFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2ccc(F)cc2O)c2cccs2)CCO1 ZINC000124023633 508773204 /nfs/dbraw/zinc/77/32/04/508773204.db2.gz IQHNFVUFHUNMQD-WFASDCNBSA-N 1 2 364.442 2.785 10 0 FFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2ccc(F)cc2O)c2cccs2)CCO1 ZINC000124023633 508773208 /nfs/dbraw/zinc/77/32/08/508773208.db2.gz IQHNFVUFHUNMQD-WFASDCNBSA-N 1 2 364.442 2.785 10 0 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352.442 2.520 10 0 FFAELO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2c(C)cccc2n1 ZINC000328793326 258120853 /nfs/dbraw/zinc/12/08/53/258120853.db2.gz CADZQHPFJBKJDE-QGZVFWFLSA-N 1 2 351.454 2.947 10 0 FFAELO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cc(=O)n2c(C)cccc2n1 ZINC000328793326 258120854 /nfs/dbraw/zinc/12/08/54/258120854.db2.gz CADZQHPFJBKJDE-QGZVFWFLSA-N 1 2 351.454 2.947 10 0 FFAELO COc1ccc([C@H]2CCCCCN2C(=O)CN2CCn3cc[nH+]c3C2)cc1 ZINC000329030834 258127439 /nfs/dbraw/zinc/12/74/39/258127439.db2.gz WZZBZTHOUGRJCW-LJQANCHMSA-N 1 2 368.481 2.851 10 0 FFAELO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329038253 258127508 /nfs/dbraw/zinc/12/75/08/258127508.db2.gz NLNVFTDSNMOIRK-JSGCOSHPSA-N 1 2 358.446 2.541 10 0 FFAELO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329038253 258127509 /nfs/dbraw/zinc/12/75/09/258127509.db2.gz NLNVFTDSNMOIRK-JSGCOSHPSA-N 1 2 358.446 2.541 10 0 FFAELO COc1ccc2c(c1)N(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C[C@H](C)O2 ZINC000329141624 258130331 /nfs/dbraw/zinc/13/03/31/258130331.db2.gz UKBQODLDNXXCGN-HLLBOEOZSA-N 1 2 367.449 2.977 10 0 FFAELO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCOCC(F)(F)C2)nc[nH+]1 ZINC000329321099 258135494 /nfs/dbraw/zinc/13/54/94/258135494.db2.gz GNXAZZMQRXPGBV-CJNGLKHVSA-N 1 2 356.417 2.564 10 0 FFAELO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCOCC(F)(F)C2)[nH+]cn1 ZINC000329321099 258135495 /nfs/dbraw/zinc/13/54/95/258135495.db2.gz GNXAZZMQRXPGBV-CJNGLKHVSA-N 1 2 356.417 2.564 10 0 FFAELO C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)CC1=O ZINC000329385354 258136867 /nfs/dbraw/zinc/13/68/67/258136867.db2.gz RYQZWNPWMORZFB-OIISXLGYSA-N 1 2 352.438 2.683 10 0 FFAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCO[C@@H](Cc3ccccc3)C1)CCC2 ZINC000332816046 258242293 /nfs/dbraw/zinc/24/22/93/258242293.db2.gz DHWCMNZAZWETBV-MOPGFXCFSA-N 1 2 368.481 2.722 10 0 FFAELO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC(C)(C)O1 ZINC000333051743 258247000 /nfs/dbraw/zinc/24/70/00/258247000.db2.gz QNLLWDQAKPCSNO-CYBMUJFWSA-N 1 2 360.458 2.611 10 0 FFAELO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC(C)(C)O1 ZINC000333051743 258247001 /nfs/dbraw/zinc/24/70/01/258247001.db2.gz QNLLWDQAKPCSNO-CYBMUJFWSA-N 1 2 360.458 2.611 10 0 FFAELO Cc1cc(N2CC[NH+]([C@H](C)c3c(F)cccc3F)CC2)n2ncnc2n1 ZINC000076911823 132179364 /nfs/dbraw/zinc/17/93/64/132179364.db2.gz VHYSCWIWZUGDDP-CYBMUJFWSA-N 1 2 358.396 2.594 10 0 FFAELO CCc1c(C)[nH+]c(-c2ccc(C)cc2)nc1N1CC[NH+](CC(=O)[O-])CC1 ZINC000073685457 132376963 /nfs/dbraw/zinc/37/69/63/132376963.db2.gz ALCHZFOSQAEKGF-UHFFFAOYSA-N 1 2 354.454 2.529 10 0 FFAELO O=C(C[NH+]1CCN(c2ccccc2O)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000007434241 506561452 /nfs/dbraw/zinc/56/14/52/506561452.db2.gz UCCNFEWYXBIJRG-UHFFFAOYSA-N 1 2 369.509 2.599 10 0 FFAELO O=S(=O)(/C=C/c1ccccc1Cl)NCc1cn2c([nH+]1)CCCC2 ZINC000066918403 506693402 /nfs/dbraw/zinc/69/34/02/506693402.db2.gz GEDMRYCJLAKMID-CSKARUKUSA-N 1 2 351.859 2.963 10 0 FFAELO CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000068125598 507120234 /nfs/dbraw/zinc/12/02/34/507120234.db2.gz JBEIWWKBDVVSQI-GDBMZVCRSA-N 1 2 364.490 2.986 10 0 FFAELO CCCC[N@H+](Cc1cc(Cl)cc2c1OCOC2)[C@H]1CCS(=O)(=O)C1 ZINC000071014262 507679573 /nfs/dbraw/zinc/67/95/73/507679573.db2.gz WORCHCTTWLWYKU-INIZCTEOSA-N 1 2 373.902 2.996 10 0 FFAELO CCCC[N@@H+](Cc1cc(Cl)cc2c1OCOC2)[C@H]1CCS(=O)(=O)C1 ZINC000071014262 507679579 /nfs/dbraw/zinc/67/95/79/507679579.db2.gz WORCHCTTWLWYKU-INIZCTEOSA-N 1 2 373.902 2.996 10 0 FFAELO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000072515033 507801395 /nfs/dbraw/zinc/80/13/95/507801395.db2.gz TZBDBVDOAGPUMY-MRXNPFEDSA-N 1 2 371.437 2.619 10 0 FFAELO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000072515033 507801397 /nfs/dbraw/zinc/80/13/97/507801397.db2.gz TZBDBVDOAGPUMY-MRXNPFEDSA-N 1 2 371.437 2.619 10 0 FFAELO C[C@@H](CNC(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000031125136 507817557 /nfs/dbraw/zinc/81/75/57/507817557.db2.gz KYMIWIMEWQGTHI-KRWDZBQOSA-N 1 2 353.466 2.796 10 0 FFAELO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000107216811 507838278 /nfs/dbraw/zinc/83/82/78/507838278.db2.gz BYFWVUYGLSXYST-DFBGVHRSSA-N 1 2 357.281 2.934 10 0 FFAELO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-c2ncon2)cc1 ZINC000107216203 507838375 /nfs/dbraw/zinc/83/83/75/507838375.db2.gz WGJYDDDQNFTLDD-UHFFFAOYSA-N 1 2 359.389 2.911 10 0 FFAELO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000072723278 507848119 /nfs/dbraw/zinc/84/81/19/507848119.db2.gz SFVJZWUYRZNSDF-WBVHZDCISA-N 1 2 374.510 2.606 10 0 FFAELO C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000107392180 507849572 /nfs/dbraw/zinc/84/95/72/507849572.db2.gz IURKWEXWLMIKKW-OLZOCXBDSA-N 1 2 357.857 2.730 10 0 FFAELO CCOC(=O)C[C@H](C)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000089693927 507856899 /nfs/dbraw/zinc/85/68/99/507856899.db2.gz LLUMCXYFJPJJAV-GJZGRUSLSA-N 1 2 358.442 2.822 10 0 FFAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000078502723 507877797 /nfs/dbraw/zinc/87/77/97/507877797.db2.gz OYBOCPPQADJQJZ-BLLLJJGKSA-N 1 2 369.400 2.726 10 0 FFAELO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCO[C@@H](Cn2cccn2)C1 ZINC000108949548 507927699 /nfs/dbraw/zinc/92/76/99/507927699.db2.gz LWLNHVIZWWAXCL-OAHLLOKOSA-N 1 2 366.421 2.513 10 0 FFAELO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000109004697 507931420 /nfs/dbraw/zinc/93/14/20/507931420.db2.gz INDIYANLHBRZCT-KRWDZBQOSA-N 1 2 353.470 2.701 10 0 FFAELO CNC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000109004697 507931423 /nfs/dbraw/zinc/93/14/23/507931423.db2.gz INDIYANLHBRZCT-KRWDZBQOSA-N 1 2 353.470 2.701 10 0 FFAELO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000079085523 507931475 /nfs/dbraw/zinc/93/14/75/507931475.db2.gz DLGOZLRJYSPATN-RYUDHWBXSA-N 1 2 372.296 2.710 10 0 FFAELO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000079085523 507931477 /nfs/dbraw/zinc/93/14/77/507931477.db2.gz DLGOZLRJYSPATN-RYUDHWBXSA-N 1 2 372.296 2.710 10 0 FFAELO CCc1cc(N2CCO[C@H](Cn3cc(C)cn3)C2)nc(-c2ccncc2)[nH+]1 ZINC000109320879 507954600 /nfs/dbraw/zinc/95/46/00/507954600.db2.gz GHKAEXFFDVALKW-SFHVURJKSA-N 1 2 364.453 2.511 10 0 FFAELO CCc1cc(N2CCC(Nc3cccnn3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000109320020 507954693 /nfs/dbraw/zinc/95/46/93/507954693.db2.gz NVCJAVXFJLQVPS-UHFFFAOYSA-N 1 2 361.453 2.972 10 0 FFAELO C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)CCS1 ZINC000079413963 507960305 /nfs/dbraw/zinc/96/03/05/507960305.db2.gz NHYJFWZQYKBGRV-NSHDSACASA-N 1 2 364.330 2.660 10 0 FFAELO C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)CCS1 ZINC000079413963 507960308 /nfs/dbraw/zinc/96/03/08/507960308.db2.gz NHYJFWZQYKBGRV-NSHDSACASA-N 1 2 364.330 2.660 10 0 FFAELO c1ccn2c(c1)nnc2C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000110119865 508008978 /nfs/dbraw/zinc/00/89/78/508008978.db2.gz YWRWBBMUOFQTHF-UHFFFAOYSA-N 1 2 363.469 2.894 10 0 FFAELO c1ccn2c(c1)nnc2C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000110119865 508008982 /nfs/dbraw/zinc/00/89/82/508008982.db2.gz YWRWBBMUOFQTHF-UHFFFAOYSA-N 1 2 363.469 2.894 10 0 FFAELO Cc1n[nH]cc1CCCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634812 508090505 /nfs/dbraw/zinc/09/05/05/508090505.db2.gz BCEFJCRCGSPXHV-CQSZACIVSA-N 1 2 352.442 2.897 10 0 FFAELO CN(C)c1cc(CNc2cc(Br)cc(F)c2C(N)=O)cc[nH+]1 ZINC000092828439 508103498 /nfs/dbraw/zinc/10/34/98/508103498.db2.gz HRIKJEGIZQQYGX-UHFFFAOYSA-N 1 2 367.222 2.760 10 0 FFAELO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351686 508177288 /nfs/dbraw/zinc/17/72/88/508177288.db2.gz YAESHGPXNMUJJE-OAHLLOKOSA-N 1 2 357.479 2.923 10 0 FFAELO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351686 508177289 /nfs/dbraw/zinc/17/72/89/508177289.db2.gz YAESHGPXNMUJJE-OAHLLOKOSA-N 1 2 357.479 2.923 10 0 FFAELO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000081722499 508206195 /nfs/dbraw/zinc/20/61/95/508206195.db2.gz BPFKGAYDFWEDDH-MRXNPFEDSA-N 1 2 361.467 2.722 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2 ZINC000112665636 508207389 /nfs/dbraw/zinc/20/73/89/508207389.db2.gz DSSMJGSEYJCBDA-UHFFFAOYSA-N 1 2 364.490 2.732 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCc1ccc3c(c1)OCCO3)C2 ZINC000112668769 508207944 /nfs/dbraw/zinc/20/79/44/508207944.db2.gz DXBZZQHOEANHJB-UHFFFAOYSA-N 1 2 369.465 2.832 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCOc1ccc(C=O)cc1)C2 ZINC000112669374 508207999 /nfs/dbraw/zinc/20/79/99/508207999.db2.gz LVKQEYPAWQCYGC-UHFFFAOYSA-N 1 2 355.438 2.710 10 0 FFAELO COc1cccc(Nc2ccccc2C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000076563793 508225011 /nfs/dbraw/zinc/22/50/11/508225011.db2.gz JIDADLGDCGVWLQ-MRXNPFEDSA-N 1 2 369.465 2.889 10 0 FFAELO O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000083188876 508240089 /nfs/dbraw/zinc/24/00/89/508240089.db2.gz LISIMOJIPNEJDK-UYAOXDASSA-N 1 2 366.465 2.880 10 0 FFAELO COc1cc(OC)cc([C@H]2CC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)c1 ZINC000083689641 508251782 /nfs/dbraw/zinc/25/17/82/508251782.db2.gz FJRCHPZEZOKCCU-NEPJUHHUSA-N 1 2 360.376 2.560 10 0 FFAELO COc1cc(OC)cc([C@H]2CC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)c1 ZINC000083689641 508251784 /nfs/dbraw/zinc/25/17/84/508251784.db2.gz FJRCHPZEZOKCCU-NEPJUHHUSA-N 1 2 360.376 2.560 10 0 FFAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000083736002 508255388 /nfs/dbraw/zinc/25/53/88/508255388.db2.gz BXMSVXQVRNNRBY-GUYCJALGSA-N 1 2 365.441 2.668 10 0 FFAELO C[C@@H](CNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1)[NH+]1CCOCC1 ZINC000084142977 508267493 /nfs/dbraw/zinc/26/74/93/508267493.db2.gz YTPWSEVOSJYQDY-LBPRGKRZSA-N 1 2 372.296 2.782 10 0 FFAELO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000103304088 508306138 /nfs/dbraw/zinc/30/61/38/508306138.db2.gz ZJKICQREMUSCCT-ROUUACIJSA-N 1 2 360.502 2.932 10 0 FFAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000077367998 508306417 /nfs/dbraw/zinc/30/64/17/508306417.db2.gz DNHMTPDPXONFKF-ROUUACIJSA-N 1 2 368.477 2.991 10 0 FFAELO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cc(F)ccc2F)CC1 ZINC000103491664 508315353 /nfs/dbraw/zinc/31/53/53/508315353.db2.gz SIDSDTOFZLZOIQ-CQSZACIVSA-N 1 2 351.441 2.530 10 0 FFAELO CCNC(=O)CCCC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000104142097 508329134 /nfs/dbraw/zinc/32/91/34/508329134.db2.gz HVZXKCTXKNMFAT-OAHLLOKOSA-N 1 2 365.905 2.852 10 0 FFAELO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000077613448 508340723 /nfs/dbraw/zinc/34/07/23/508340723.db2.gz UUCPEDLKRZVKKC-INIZCTEOSA-N 1 2 370.453 2.746 10 0 FFAELO CCC[C@@H]([NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1)C(=O)OCC ZINC000114803014 508349219 /nfs/dbraw/zinc/34/92/19/508349219.db2.gz JEQGGUHUYLYLIJ-CVEARBPZSA-N 1 2 354.516 2.751 10 0 FFAELO Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)s2)o1 ZINC000114857842 508354211 /nfs/dbraw/zinc/35/42/11/508354211.db2.gz HFTKRWYHBLXIGK-CQSZACIVSA-N 1 2 361.467 2.613 10 0 FFAELO Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)s2)o1 ZINC000114857842 508354212 /nfs/dbraw/zinc/35/42/12/508354212.db2.gz HFTKRWYHBLXIGK-CQSZACIVSA-N 1 2 361.467 2.613 10 0 FFAELO O=C(CCCc1ncc(-c2ccccc2)o1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164709 508373706 /nfs/dbraw/zinc/37/37/06/508373706.db2.gz MMTQQTBWJGEBOF-GOSISDBHSA-N 1 2 369.465 2.644 10 0 FFAELO O=C(CCCc1ncc(-c2ccccc2)o1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000115164709 508373707 /nfs/dbraw/zinc/37/37/07/508373707.db2.gz MMTQQTBWJGEBOF-GOSISDBHSA-N 1 2 369.465 2.644 10 0 FFAELO Cc1ncc(C[NH+]2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)s1 ZINC000106091319 508393287 /nfs/dbraw/zinc/39/32/87/508393287.db2.gz GAJDLMCTCFLUJJ-OAHLLOKOSA-N 1 2 370.522 2.547 10 0 FFAELO CCOc1cc(C)nc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)n1 ZINC000106153952 508396431 /nfs/dbraw/zinc/39/64/31/508396431.db2.gz IMFZXXXSOWGEGJ-UHFFFAOYSA-N 1 2 353.426 2.647 10 0 FFAELO CN(C(=O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000106162652 508396804 /nfs/dbraw/zinc/39/68/04/508396804.db2.gz FJZOBYXGUOETPL-SFHVURJKSA-N 1 2 373.522 2.716 10 0 FFAELO CN(C(=O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000106162652 508396805 /nfs/dbraw/zinc/39/68/05/508396805.db2.gz FJZOBYXGUOETPL-SFHVURJKSA-N 1 2 373.522 2.716 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1CCC(c3ccccc3)=N1)C2 ZINC000106372175 508400088 /nfs/dbraw/zinc/40/00/88/508400088.db2.gz QSZDBQNSGTWRTN-UHFFFAOYSA-N 1 2 365.481 2.538 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)cc2)CC1 ZINC000115657927 508422854 /nfs/dbraw/zinc/42/28/54/508422854.db2.gz SWXQNAQBYGODMP-INIZCTEOSA-N 1 2 369.513 2.934 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000115780907 508435801 /nfs/dbraw/zinc/43/58/01/508435801.db2.gz IMMBOTNXNIDJEL-MRXNPFEDSA-N 1 2 369.513 2.934 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000127353236 508437238 /nfs/dbraw/zinc/43/72/38/508437238.db2.gz KCVMNIYBMYOOAZ-BRWVUGGUSA-N 1 2 368.399 2.788 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000127353236 508437243 /nfs/dbraw/zinc/43/72/43/508437243.db2.gz KCVMNIYBMYOOAZ-BRWVUGGUSA-N 1 2 368.399 2.788 10 0 FFAELO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152498186 508458390 /nfs/dbraw/zinc/45/83/90/508458390.db2.gz KQGBNVLBGAFTEX-RDJZCZTQSA-N 1 2 355.438 2.961 10 0 FFAELO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152498186 508458396 /nfs/dbraw/zinc/45/83/96/508458396.db2.gz KQGBNVLBGAFTEX-RDJZCZTQSA-N 1 2 355.438 2.961 10 0 FFAELO CCC(=O)c1cccc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC000152600969 508477081 /nfs/dbraw/zinc/47/70/81/508477081.db2.gz NJEVGKGFAQDLGD-UHFFFAOYSA-N 1 2 369.469 2.753 10 0 FFAELO CCC(=O)c1cccc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1 ZINC000152600969 508477085 /nfs/dbraw/zinc/47/70/85/508477085.db2.gz NJEVGKGFAQDLGD-UHFFFAOYSA-N 1 2 369.469 2.753 10 0 FFAELO CC(C)c1ccc(C[C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000134069380 508489137 /nfs/dbraw/zinc/48/91/37/508489137.db2.gz KLGWLUCCYIHYKJ-FXAWDEMLSA-N 1 2 359.514 2.857 10 0 FFAELO O=C(C[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccccc1C(=O)NC1CC1 ZINC000116292936 508496242 /nfs/dbraw/zinc/49/62/42/508496242.db2.gz QQVMHKAEOQFMLI-KRWDZBQOSA-N 1 2 353.422 2.947 10 0 FFAELO O=C(C[N@H+]1CCC[C@H]1c1ccco1)Nc1ccccc1C(=O)NC1CC1 ZINC000116292936 508496248 /nfs/dbraw/zinc/49/62/48/508496248.db2.gz QQVMHKAEOQFMLI-KRWDZBQOSA-N 1 2 353.422 2.947 10 0 FFAELO CC[N@H+](CCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116415890 508510128 /nfs/dbraw/zinc/51/01/28/508510128.db2.gz PPQIODNLVQCRJY-QGZVFWFLSA-N 1 2 355.486 2.836 10 0 FFAELO CC[N@@H+](CCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116415890 508510133 /nfs/dbraw/zinc/51/01/33/508510133.db2.gz PPQIODNLVQCRJY-QGZVFWFLSA-N 1 2 355.486 2.836 10 0 FFAELO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122300047 508515007 /nfs/dbraw/zinc/51/50/07/508515007.db2.gz DZRWPGDYTHPUQC-LJQANCHMSA-N 1 2 369.444 2.726 10 0 FFAELO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122300047 508515011 /nfs/dbraw/zinc/51/50/11/508515011.db2.gz DZRWPGDYTHPUQC-LJQANCHMSA-N 1 2 369.444 2.726 10 0 FFAELO Cc1cnn(C[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)c1 ZINC000122440741 508535775 /nfs/dbraw/zinc/53/57/75/508535775.db2.gz QZALXUSMRGILKW-GOSISDBHSA-N 1 2 355.417 2.622 10 0 FFAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)c1 ZINC000122440741 508535778 /nfs/dbraw/zinc/53/57/78/508535778.db2.gz QZALXUSMRGILKW-GOSISDBHSA-N 1 2 355.417 2.622 10 0 FFAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)n1 ZINC000122601167 508560933 /nfs/dbraw/zinc/56/09/33/508560933.db2.gz GXFBUYMQFLVRPJ-LJQANCHMSA-N 1 2 369.444 2.930 10 0 FFAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)n1 ZINC000122601167 508560935 /nfs/dbraw/zinc/56/09/35/508560935.db2.gz GXFBUYMQFLVRPJ-LJQANCHMSA-N 1 2 369.444 2.930 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)C)cc3)CCO2)c1 ZINC000135055366 508583538 /nfs/dbraw/zinc/58/35/38/508583538.db2.gz LYKMCXQWAVPMOE-IBGZPJMESA-N 1 2 357.454 2.658 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)C)cc3)CCO2)c1 ZINC000135055366 508583543 /nfs/dbraw/zinc/58/35/43/508583543.db2.gz LYKMCXQWAVPMOE-IBGZPJMESA-N 1 2 357.454 2.658 10 0 FFAELO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC(c2cc[nH]n2)CC1 ZINC000157621256 508588818 /nfs/dbraw/zinc/58/88/18/508588818.db2.gz KRPBGKMKMYYPJI-UHFFFAOYSA-N 1 2 350.426 2.685 10 0 FFAELO Cc1ncc(C[NH+]2CCN(c3cnc4cc(F)c(F)cc4n3)CC2)s1 ZINC000122829739 508593154 /nfs/dbraw/zinc/59/31/54/508593154.db2.gz MQYMBZIAEKHVEV-UHFFFAOYSA-N 1 2 361.421 2.995 10 0 FFAELO CCCOc1cccc(CCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c1 ZINC000135516835 508615800 /nfs/dbraw/zinc/61/58/00/508615800.db2.gz WXHJGOAWPUZAEA-KRWDZBQOSA-N 1 2 356.470 2.881 10 0 FFAELO CCCOc1cccc(CCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c1 ZINC000135516835 508615803 /nfs/dbraw/zinc/61/58/03/508615803.db2.gz WXHJGOAWPUZAEA-KRWDZBQOSA-N 1 2 356.470 2.881 10 0 FFAELO C[C@H](CNC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000158122734 508660053 /nfs/dbraw/zinc/66/00/53/508660053.db2.gz ZFIUKHIMFMEEMG-QRVBRYPASA-N 1 2 354.535 2.979 10 0 FFAELO O=C(NC1CCN(c2cccs2)CC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000129144470 508690438 /nfs/dbraw/zinc/69/04/38/508690438.db2.gz QQGINUKZDANHBB-UHFFFAOYSA-N 1 2 353.451 2.728 10 0 FFAELO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000118982252 508700032 /nfs/dbraw/zinc/70/00/32/508700032.db2.gz OWVFFGMFAZUFDQ-VXGBXAGGSA-N 1 2 360.285 2.554 10 0 FFAELO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000118982252 508700035 /nfs/dbraw/zinc/70/00/35/508700035.db2.gz OWVFFGMFAZUFDQ-VXGBXAGGSA-N 1 2 360.285 2.554 10 0 FFAELO CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000123670790 508722949 /nfs/dbraw/zinc/72/29/49/508722949.db2.gz RFRLZRHFGVGUNG-CQSZACIVSA-N 1 2 354.903 2.999 10 0 FFAELO CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000119155981 508737399 /nfs/dbraw/zinc/73/73/99/508737399.db2.gz CGBGCJVQNFTGIE-MAUKXSAKSA-N 1 2 371.485 2.927 10 0 FFAELO Cc1nnc([C@H]2C[N@H+](CCCC(=O)Nc3c(C)cccc3C)CCO2)[nH]1 ZINC000137709931 508763116 /nfs/dbraw/zinc/76/31/16/508763116.db2.gz SPQKWAFCACPLDF-MRXNPFEDSA-N 1 2 357.458 2.522 10 0 FFAELO Cc1nnc([C@H]2C[N@@H+](CCCC(=O)Nc3c(C)cccc3C)CCO2)[nH]1 ZINC000137709931 508763119 /nfs/dbraw/zinc/76/31/19/508763119.db2.gz SPQKWAFCACPLDF-MRXNPFEDSA-N 1 2 357.458 2.522 10 0 FFAELO Cc1ccc([C@H]2C[N@H+](CCC(=O)Nc3ccc4c(c3)OCO4)CCO2)o1 ZINC000158888483 508764184 /nfs/dbraw/zinc/76/41/84/508764184.db2.gz STXANKDOOGDLAM-GOSISDBHSA-N 1 2 358.394 2.719 10 0 FFAELO Cc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3ccc4c(c3)OCO4)CCO2)o1 ZINC000158888483 508764186 /nfs/dbraw/zinc/76/41/86/508764186.db2.gz STXANKDOOGDLAM-GOSISDBHSA-N 1 2 358.394 2.719 10 0 FFAELO Cc1coc(-c2cc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)ccc2C)n1 ZINC000154406622 508778121 /nfs/dbraw/zinc/77/81/21/508778121.db2.gz OYMWUILIKAAXTD-QGZVFWFLSA-N 1 2 370.453 2.897 10 0 FFAELO Cc1cccc(NC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000124315807 508814300 /nfs/dbraw/zinc/81/43/00/508814300.db2.gz OPZXHJCFOBZGBU-HNNXBMFYSA-N 1 2 360.483 2.989 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)NC1(c2ccccc2)CCC1 ZINC000131251321 508905673 /nfs/dbraw/zinc/90/56/73/508905673.db2.gz VEKHDIBTGGHZIP-RUZDIDTESA-N 1 2 359.495 2.908 10 0 FFAELO Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000131369006 508922436 /nfs/dbraw/zinc/92/24/36/508922436.db2.gz ZXNAYPDBYFZZDT-UHFFFAOYSA-N 1 2 373.888 2.978 10 0 FFAELO C[C@@H](NC(=O)Nc1cnc(N(C)C)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000155131900 508930793 /nfs/dbraw/zinc/93/07/93/508930793.db2.gz ONLPQURPYUAROB-CYBMUJFWSA-N 1 2 351.414 2.611 10 0 FFAELO O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@H]1CSC[NH2+]1 ZINC000160845700 509039049 /nfs/dbraw/zinc/03/90/49/509039049.db2.gz KDEFUDWFZHTZMM-OSPHWJPCSA-N 1 2 360.504 2.737 10 0 FFAELO CCOCCN1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000120903873 509086580 /nfs/dbraw/zinc/08/65/80/509086580.db2.gz WBZROIBESNAXTF-INIZCTEOSA-N 1 2 358.486 2.628 10 0 FFAELO CCOCCN1CC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000120903873 509086582 /nfs/dbraw/zinc/08/65/82/509086582.db2.gz WBZROIBESNAXTF-INIZCTEOSA-N 1 2 358.486 2.628 10 0 FFAELO CC[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CCN1CCOC ZINC000120968854 509099358 /nfs/dbraw/zinc/09/93/58/509099358.db2.gz DWHNGHVKPCTVQN-GOSISDBHSA-N 1 2 356.470 2.812 10 0 FFAELO CC[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CCN1CCOC ZINC000120968854 509099361 /nfs/dbraw/zinc/09/93/61/509099361.db2.gz DWHNGHVKPCTVQN-GOSISDBHSA-N 1 2 356.470 2.812 10 0 FFAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000121152755 509139931 /nfs/dbraw/zinc/13/99/31/509139931.db2.gz HIFQPGKUTYJBCP-INIZCTEOSA-N 1 2 369.396 2.694 10 0 FFAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000121152755 509139936 /nfs/dbraw/zinc/13/99/36/509139936.db2.gz HIFQPGKUTYJBCP-INIZCTEOSA-N 1 2 369.396 2.694 10 0 FFAELO CC(C)c1ncc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)s1 ZINC000127113946 509167463 /nfs/dbraw/zinc/16/74/63/509167463.db2.gz LBSNVPPREVKENN-OAHLLOKOSA-N 1 2 350.532 2.509 10 0 FFAELO CCOc1cc(C[NH+]2CCN([C@H](C)c3nc(CC)no3)CC2)ccc1OC ZINC000121380427 509170660 /nfs/dbraw/zinc/17/06/60/509170660.db2.gz OTSQESRQCACBQO-OAHLLOKOSA-N 1 2 374.485 2.918 10 0 FFAELO Cc1nn(C)c2ncc(C[N@@H+]3CCCC[C@@H]3c3nnc4n3CCCC4)cc12 ZINC000195511532 509203613 /nfs/dbraw/zinc/20/36/13/509203613.db2.gz BXSYOZDEVPWFBN-QGZVFWFLSA-N 1 2 365.485 2.932 10 0 FFAELO Cc1nn(C)c2ncc(C[N@H+]3CCCC[C@@H]3c3nnc4n3CCCC4)cc12 ZINC000195511532 509203620 /nfs/dbraw/zinc/20/36/20/509203620.db2.gz BXSYOZDEVPWFBN-QGZVFWFLSA-N 1 2 365.485 2.932 10 0 FFAELO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172746111 509209363 /nfs/dbraw/zinc/20/93/63/509209363.db2.gz NIOSJMSASIRXCV-DZFGPLHGSA-N 1 2 350.462 2.876 10 0 FFAELO Cc1cc(OCCCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000172754842 509215496 /nfs/dbraw/zinc/21/54/96/509215496.db2.gz QOESYIQYNPMAFJ-MRXNPFEDSA-N 1 2 366.889 2.741 10 0 FFAELO CC(C)c1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c2ccccc2n1 ZINC000172754127 509215644 /nfs/dbraw/zinc/21/56/44/509215644.db2.gz AIKLFJONPCFGQN-INIZCTEOSA-N 1 2 353.466 2.905 10 0 FFAELO COc1cc(C2(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)CCCC2)ccc1C ZINC000172764777 509220884 /nfs/dbraw/zinc/22/08/84/509220884.db2.gz DNTGPTDVKYRYGT-IBGZPJMESA-N 1 2 372.509 2.749 10 0 FFAELO O=C(NCc1ccn2cc[nH+]c2c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000179084182 509254784 /nfs/dbraw/zinc/25/47/84/509254784.db2.gz CXIVHVCEWCGEAN-RHSMWYFYSA-N 1 2 372.375 2.630 10 0 FFAELO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3scnc3C(C)(C)C)C2)CC1 ZINC000176002447 509267178 /nfs/dbraw/zinc/26/71/78/509267178.db2.gz GDHWKKZLFBJYMC-HNNXBMFYSA-N 1 2 364.559 2.683 10 0 FFAELO Cc1ccc2nc(CN3CCC([N@H+](C)CC(=O)OC(C)(C)C)CC3)cn2c1 ZINC000191978312 509273878 /nfs/dbraw/zinc/27/38/78/509273878.db2.gz UDDHFMLCIMEJIS-UHFFFAOYSA-N 1 2 372.513 2.881 10 0 FFAELO Cc1ccc2nc(CN3CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC3)cn2c1 ZINC000191978312 509273882 /nfs/dbraw/zinc/27/38/82/509273882.db2.gz UDDHFMLCIMEJIS-UHFFFAOYSA-N 1 2 372.513 2.881 10 0 FFAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000185702364 509313429 /nfs/dbraw/zinc/31/34/29/509313429.db2.gz BZWCZLDTLRVVPY-GFCCVEGCSA-N 1 2 362.779 2.952 10 0 FFAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000185702364 509313433 /nfs/dbraw/zinc/31/34/33/509313433.db2.gz BZWCZLDTLRVVPY-GFCCVEGCSA-N 1 2 362.779 2.952 10 0 FFAELO C[C@@H]1CN(C(=O)Nc2cc(-c3ccccc3)on2)C[C@@H]1[NH+]1CCOCC1 ZINC000176201690 509375416 /nfs/dbraw/zinc/37/54/16/509375416.db2.gz JAUXQXTZAMOITM-ZBFHGGJFSA-N 1 2 356.426 2.526 10 0 FFAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192210020 509404874 /nfs/dbraw/zinc/40/48/74/509404874.db2.gz JNCPGNMCFQDAOW-ZWKOTPCHSA-N 1 2 353.426 2.834 10 0 FFAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192210020 509404878 /nfs/dbraw/zinc/40/48/78/509404878.db2.gz JNCPGNMCFQDAOW-ZWKOTPCHSA-N 1 2 353.426 2.834 10 0 FFAELO CCOC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000189113596 509417586 /nfs/dbraw/zinc/41/75/86/509417586.db2.gz LXXRXQXQGGBUCA-CABCVRRESA-N 1 2 369.531 2.624 10 0 FFAELO CCOC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000189113596 509417594 /nfs/dbraw/zinc/41/75/94/509417594.db2.gz LXXRXQXQGGBUCA-CABCVRRESA-N 1 2 369.531 2.624 10 0 FFAELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)C1 ZINC000176325581 509446443 /nfs/dbraw/zinc/44/64/43/509446443.db2.gz DIVRDRWTCRGSGX-MRXNPFEDSA-N 1 2 358.438 2.814 10 0 FFAELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)C1 ZINC000176325581 509446445 /nfs/dbraw/zinc/44/64/45/509446445.db2.gz DIVRDRWTCRGSGX-MRXNPFEDSA-N 1 2 358.438 2.814 10 0 FFAELO Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176344802 509456929 /nfs/dbraw/zinc/45/69/29/509456929.db2.gz JASGKSAQINJPEE-MRXNPFEDSA-N 1 2 355.442 2.590 10 0 FFAELO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000248764662 509475166 /nfs/dbraw/zinc/47/51/66/509475166.db2.gz GVAQTPPCABPJFE-RISCZKNCSA-N 1 2 362.253 2.761 10 0 FFAELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000248764662 509475173 /nfs/dbraw/zinc/47/51/73/509475173.db2.gz GVAQTPPCABPJFE-RISCZKNCSA-N 1 2 362.253 2.761 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000173266459 509488214 /nfs/dbraw/zinc/48/82/14/509488214.db2.gz FVYQHJDHYVBLMV-HOCLYGCPSA-N 1 2 354.458 2.548 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)c2ccccc2)[nH+]cn1 ZINC000173266459 509488217 /nfs/dbraw/zinc/48/82/17/509488217.db2.gz FVYQHJDHYVBLMV-HOCLYGCPSA-N 1 2 354.458 2.548 10 0 FFAELO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ncncc1Cl ZINC000176443614 509514964 /nfs/dbraw/zinc/51/49/64/509514964.db2.gz POUGQFDQLRHXBO-LLVKDONJSA-N 1 2 366.799 2.803 10 0 FFAELO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ncncc1Cl ZINC000176443614 509514972 /nfs/dbraw/zinc/51/49/72/509514972.db2.gz POUGQFDQLRHXBO-LLVKDONJSA-N 1 2 366.799 2.803 10 0 FFAELO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1OC1CCCC1 ZINC000182993446 509537839 /nfs/dbraw/zinc/53/78/39/509537839.db2.gz MYLPNIKWLCZMHI-GOSISDBHSA-N 1 2 374.481 2.610 10 0 FFAELO COc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1OC1CCCC1 ZINC000182993446 509537843 /nfs/dbraw/zinc/53/78/43/509537843.db2.gz MYLPNIKWLCZMHI-GOSISDBHSA-N 1 2 374.481 2.610 10 0 FFAELO COc1ccc(/C=C/C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1O ZINC000186141409 509543164 /nfs/dbraw/zinc/54/31/64/509543164.db2.gz JZXANJZDSFEDQZ-SOFGYWHQSA-N 1 2 355.438 2.856 10 0 FFAELO C[C@H](CNC(=O)NCCCCCc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000186164639 509554975 /nfs/dbraw/zinc/55/49/75/509554975.db2.gz YJHKWRZYGBSJHX-MRXNPFEDSA-N 1 2 351.466 2.558 10 0 FFAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1ccc(F)cc1 ZINC000176517909 509556553 /nfs/dbraw/zinc/55/65/53/509556553.db2.gz PEBVHCSOGIVQPF-QGZVFWFLSA-N 1 2 362.470 2.962 10 0 FFAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000176521404 509560169 /nfs/dbraw/zinc/56/01/69/509560169.db2.gz PKIPDOOSPOPQFU-CQSZACIVSA-N 1 2 372.473 2.537 10 0 FFAELO CO[C@H]1C[C@@H](c2nc(C)no2)N(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000248988777 509566335 /nfs/dbraw/zinc/56/63/35/509566335.db2.gz WDVOKKOUJPEGGL-GJZGRUSLSA-N 1 2 352.398 2.505 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)Cc2ccccc2F)nc[nH+]1 ZINC000173418547 509585838 /nfs/dbraw/zinc/58/58/38/509585838.db2.gz WAWYLGZWJBFDRL-HOCLYGCPSA-N 1 2 371.460 2.621 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)Cc2ccccc2F)[nH+]cn1 ZINC000173418547 509585842 /nfs/dbraw/zinc/58/58/42/509585842.db2.gz WAWYLGZWJBFDRL-HOCLYGCPSA-N 1 2 371.460 2.621 10 0 FFAELO CCCCO[C@H](C)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176563863 509586517 /nfs/dbraw/zinc/58/65/17/509586517.db2.gz ZUXLCYGKPXAWOI-HZPDHXFCSA-N 1 2 354.516 2.751 10 0 FFAELO Cc1ccc(CC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cn1 ZINC000176579589 509592760 /nfs/dbraw/zinc/59/27/60/509592760.db2.gz OYHONIXRJYAEKE-WBVHZDCISA-N 1 2 359.495 2.572 10 0 FFAELO Cc1ccc(CC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000176579589 509592765 /nfs/dbraw/zinc/59/27/65/509592765.db2.gz OYHONIXRJYAEKE-WBVHZDCISA-N 1 2 359.495 2.572 10 0 FFAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)CCc2cscn2)c2cccs2)CCO1 ZINC000176597845 509603402 /nfs/dbraw/zinc/60/34/02/509603402.db2.gz CNCVZPMYUBVCEJ-ZFWWWQNUSA-N 1 2 365.524 2.715 10 0 FFAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)CCc2cscn2)c2cccs2)CCO1 ZINC000176597845 509603411 /nfs/dbraw/zinc/60/34/11/509603411.db2.gz CNCVZPMYUBVCEJ-ZFWWWQNUSA-N 1 2 365.524 2.715 10 0 FFAELO CN(CC1CC(O)C1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249133750 509617425 /nfs/dbraw/zinc/61/74/25/509617425.db2.gz WMPKXLXWSGABFA-ZSEUIFFHSA-N 1 2 369.868 2.637 10 0 FFAELO CN(CC1CC(O)C1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249133750 509617431 /nfs/dbraw/zinc/61/74/31/509617431.db2.gz WMPKXLXWSGABFA-ZSEUIFFHSA-N 1 2 369.868 2.637 10 0 FFAELO CN(C)c1noc(C2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)n1 ZINC000189538565 509626108 /nfs/dbraw/zinc/62/61/08/509626108.db2.gz TWLUTSOSHZEGSZ-UHFFFAOYSA-N 1 2 352.442 2.701 10 0 FFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000167810144 509640686 /nfs/dbraw/zinc/64/06/86/509640686.db2.gz MALYFSGDQDEKLT-SMDDNHRTSA-N 1 2 366.462 2.569 10 0 FFAELO COCc1ccc(CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186345225 509661343 /nfs/dbraw/zinc/66/13/43/509661343.db2.gz AHHGOKWSHSEVQY-UHFFFAOYSA-N 1 2 354.454 2.650 10 0 FFAELO CCn1cnnc1[C@H]1CCC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000173608886 509672767 /nfs/dbraw/zinc/67/27/67/509672767.db2.gz CPELCJPFTHEZEW-KRWDZBQOSA-N 1 2 366.469 2.846 10 0 FFAELO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000173608886 509672774 /nfs/dbraw/zinc/67/27/74/509672774.db2.gz CPELCJPFTHEZEW-KRWDZBQOSA-N 1 2 366.469 2.846 10 0 FFAELO COc1ccc(OC)c(/C=C/C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186383177 509681036 /nfs/dbraw/zinc/68/10/36/509681036.db2.gz XBEBSQKYUMFZRC-JXMROGBWSA-N 1 2 367.449 2.851 10 0 FFAELO C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000173625939 509681920 /nfs/dbraw/zinc/68/19/20/509681920.db2.gz KCOLVYFXKVMIBF-PMPSAXMXSA-N 1 2 355.486 2.573 10 0 FFAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)NCc1ccccc1Cl ZINC000173625359 509682360 /nfs/dbraw/zinc/68/23/60/509682360.db2.gz ZMXKNSPYGHJVIU-STQMWFEESA-N 1 2 361.877 2.623 10 0 FFAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)Nc1cccc2ncccc21 ZINC000173624469 509682475 /nfs/dbraw/zinc/68/24/75/509682475.db2.gz HFBSWHXJAOGZAW-ZIAGYGMSSA-N 1 2 364.453 2.840 10 0 FFAELO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186406401 509693506 /nfs/dbraw/zinc/69/35/06/509693506.db2.gz JTPDTSHZWMPHSU-UHFFFAOYSA-N 1 2 369.513 2.832 10 0 FFAELO COc1cc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc(OC)c1C ZINC000186416086 509698665 /nfs/dbraw/zinc/69/86/65/509698665.db2.gz RZNBZQFVCAPLPM-UHFFFAOYSA-N 1 2 355.438 2.760 10 0 FFAELO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173655442 509702202 /nfs/dbraw/zinc/70/22/02/509702202.db2.gz FGIMMYZVNTWCPD-LBPRGKRZSA-N 1 2 370.359 2.966 10 0 FFAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000192942784 509707450 /nfs/dbraw/zinc/70/74/50/509707450.db2.gz CKNMJIFETHMSEM-UHFFFAOYSA-N 1 2 369.444 2.615 10 0 FFAELO C[C@@H](NC(=O)NCC[S@](=O)C(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176848624 509723539 /nfs/dbraw/zinc/72/35/39/509723539.db2.gz NIHJZZVEUDDIKP-PWECECGKSA-N 1 2 362.499 2.780 10 0 FFAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)Nc1ccccc1OC(F)F ZINC000176889253 509745989 /nfs/dbraw/zinc/74/59/89/509745989.db2.gz LBTGRKBBYAIAFW-RUZDIDTESA-N 1 2 371.409 2.953 10 0 FFAELO CCn1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1ccc(Cl)cc1F ZINC000176906453 509757722 /nfs/dbraw/zinc/75/77/22/509757722.db2.gz URWJDWBRJJKFHX-UHFFFAOYSA-N 1 2 373.837 2.639 10 0 FFAELO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000180116866 509759828 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FFAELO C[C@@H]1CN(C(=O)c2ccc(SC(F)F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173838500 509809781 /nfs/dbraw/zinc/80/97/81/509809781.db2.gz WESZIJNIGGASEW-IUODEOHRSA-N 1 2 356.438 2.794 10 0 FFAELO Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000173845962 509812098 /nfs/dbraw/zinc/81/20/98/509812098.db2.gz QDYDVTFLFMEMHC-HOCLYGCPSA-N 1 2 368.424 2.698 10 0 FFAELO Cc1cccc(C2(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)CCCC2)c1 ZINC000173857200 509819390 /nfs/dbraw/zinc/81/93/90/509819390.db2.gz HZABSKJIVGQDLG-UYAOXDASSA-N 1 2 356.510 2.986 10 0 FFAELO C[C@@H]1CN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173871946 509827790 /nfs/dbraw/zinc/82/77/90/509827790.db2.gz NMLJJSPKAXGFEE-ACJLOTCBSA-N 1 2 374.872 2.523 10 0 FFAELO CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nn1C(C)(C)C ZINC000173888059 509836590 /nfs/dbraw/zinc/83/65/90/509836590.db2.gz GQVYDISSLCOGDR-CRAIPNDOSA-N 1 2 362.518 2.554 10 0 FFAELO CC(C)(C)[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccs1 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359.426 2.672 10 0 FFAELO COc1cccc(CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000174472190 510129727 /nfs/dbraw/zinc/12/97/27/510129727.db2.gz ZVNOOBYDCIRXBW-CQSZACIVSA-N 1 2 351.410 2.836 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cc(C)ccc2F)nc[nH+]1 ZINC000174481984 510135454 /nfs/dbraw/zinc/13/54/54/510135454.db2.gz QENONUMUTQQCQW-ZDUSSCGKSA-N 1 2 358.421 2.756 10 0 FFAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cc(C)ccc2F)[nH+]cn1 ZINC000174481984 510135462 /nfs/dbraw/zinc/13/54/62/510135462.db2.gz QENONUMUTQQCQW-ZDUSSCGKSA-N 1 2 358.421 2.756 10 0 FFAELO COc1cccc(O[C@@H](C)CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177572590 510140013 /nfs/dbraw/zinc/14/00/13/510140013.db2.gz NWLWWJHCRAITDD-JKSUJKDBSA-N 1 2 358.442 2.533 10 0 FFAELO CCC1(CNC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000177591489 510150487 /nfs/dbraw/zinc/15/04/87/510150487.db2.gz DRMSIUGLMOJGNF-CABCVRRESA-N 1 2 351.516 2.999 10 0 FFAELO CCC1(CNC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000177591489 510150495 /nfs/dbraw/zinc/15/04/95/510150495.db2.gz DRMSIUGLMOJGNF-CABCVRRESA-N 1 2 351.516 2.999 10 0 FFAELO CC(C)Oc1cccc(CN(C)c2cc(N3CCC[C@H]3CO)nc[nH+]2)c1 ZINC000245854197 510169831 /nfs/dbraw/zinc/16/98/31/510169831.db2.gz CACBWFDGJFLYLK-KRWDZBQOSA-N 1 2 356.470 2.861 10 0 FFAELO CC(C)Oc1cccc(CN(C)c2cc(N3CCC[C@H]3CO)[nH+]cn2)c1 ZINC000245854197 510169839 /nfs/dbraw/zinc/16/98/39/510169839.db2.gz CACBWFDGJFLYLK-KRWDZBQOSA-N 1 2 356.470 2.861 10 0 FFAELO Cn1cc([C@@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cn1 ZINC000171459140 510172376 /nfs/dbraw/zinc/17/23/76/510172376.db2.gz DDVPZYRDESPCTA-SFHVURJKSA-N 1 2 368.485 2.852 10 0 FFAELO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](Cc4noc(C)n4)C3)no2)cc1 ZINC000171503905 510195744 /nfs/dbraw/zinc/19/57/44/510195744.db2.gz FLFBVBCGWDROOB-CQSZACIVSA-N 1 2 369.425 2.891 10 0 FFAELO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](Cc4noc(C)n4)C3)no2)cc1 ZINC000171503905 510195748 /nfs/dbraw/zinc/19/57/48/510195748.db2.gz FLFBVBCGWDROOB-CQSZACIVSA-N 1 2 369.425 2.891 10 0 FFAELO 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COc1c(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c(C)nn1C ZINC000093480517 250036054 /nfs/dbraw/zinc/03/60/54/250036054.db2.gz TULCCURCMKRBTA-QGZVFWFLSA-N 1 2 372.469 2.657 10 0 FFAELO COc1c(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c(C)nn1C ZINC000093480517 250036058 /nfs/dbraw/zinc/03/60/58/250036058.db2.gz TULCCURCMKRBTA-QGZVFWFLSA-N 1 2 372.469 2.657 10 0 FFAELO O=C(NCCCCNc1cccc[nH+]1)NCc1cnn(-c2ccccc2)c1 ZINC000105099808 250199838 /nfs/dbraw/zinc/19/98/38/250199838.db2.gz NDWSEBLXBRDFBB-UHFFFAOYSA-N 1 2 364.453 2.959 10 0 FFAELO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081723 250232054 /nfs/dbraw/zinc/23/20/54/250232054.db2.gz UYMSDJQFCGSGJR-HNNXBMFYSA-N 1 2 369.469 2.779 10 0 FFAELO Cc1ncc(C[NH+]2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)s1 ZINC000106090983 250234257 /nfs/dbraw/zinc/23/42/57/250234257.db2.gz ISRBCYBWTSGGOV-IBGZPJMESA-N 1 2 370.522 2.589 10 0 FFAELO Cc1ccc2oc(N3CC[NH+](Cc4cccc(C(N)=O)c4)CC3)nc2c1 ZINC000106095057 250234612 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Cc1cc(C(=O)C[N@H+]2CCCN(c3cccnn3)CC2)c(C)n1C1CC1 ZINC000106070488 250230079 /nfs/dbraw/zinc/23/00/79/250230079.db2.gz CYXBTETZCVTBTQ-UHFFFAOYSA-N 1 2 353.470 2.625 10 0 FFAELO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)Nc1c(Cl)cccc1Cl ZINC000106175754 250249911 /nfs/dbraw/zinc/24/99/11/250249911.db2.gz CRBMKNXZCSCPPM-LBPRGKRZSA-N 1 2 368.268 2.936 10 0 FFAELO O=C(C[N@H+]1CCC[C@H](Cn2cncn2)C1)Nc1c(Cl)cccc1Cl ZINC000106175754 250249917 /nfs/dbraw/zinc/24/99/17/250249917.db2.gz CRBMKNXZCSCPPM-LBPRGKRZSA-N 1 2 368.268 2.936 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)c1 ZINC000106196854 250252857 /nfs/dbraw/zinc/25/28/57/250252857.db2.gz GGRASVRHNSIDMF-ROUUACIJSA-N 1 2 356.470 2.536 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)c1 ZINC000106196854 250252860 /nfs/dbraw/zinc/25/28/60/250252860.db2.gz GGRASVRHNSIDMF-ROUUACIJSA-N 1 2 356.470 2.536 10 0 FFAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cc(=O)oc4c(C)c(C)ccc34)CCO2)c1 ZINC000106198181 250253546 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258119401 /nfs/dbraw/zinc/11/94/01/258119401.db2.gz OLQHCHQWNNCZCC-UHFFFAOYSA-N 1 2 359.499 2.728 10 0 FFAELO CC1(C)Cc2cccc(S(=O)(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)c2O1 ZINC000328633798 258116622 /nfs/dbraw/zinc/11/66/22/258116622.db2.gz BCYOLPOMOBAMKP-INIZCTEOSA-N 1 2 374.462 2.637 10 0 FFAELO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)n1cnc2ccccc21 ZINC000328658620 258117110 /nfs/dbraw/zinc/11/71/10/258117110.db2.gz RJTACLZPXBAVTN-KSSFIOAISA-N 1 2 352.413 2.910 10 0 FFAELO Brc1ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000301635854 258060051 /nfs/dbraw/zinc/06/00/51/258060051.db2.gz KVTNLBUBYJMFBG-DLBZAZTESA-N 1 2 374.282 2.934 10 0 FFAELO Brc1ccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000301635854 258060052 /nfs/dbraw/zinc/06/00/52/258060052.db2.gz KVTNLBUBYJMFBG-DLBZAZTESA-N 1 2 374.282 2.934 10 0 FFAELO Cc1nc([C@@H]2CCCCN2C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)n[nH]1 ZINC000328672061 258117637 /nfs/dbraw/zinc/11/76/37/258117637.db2.gz HVFDUZFIXIYDKQ-KSSFIOAISA-N 1 2 353.470 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CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000135692458 508641409 /nfs/dbraw/zinc/64/14/09/508641409.db2.gz HALGIKLIONULFN-APWZRJJASA-N 1 2 372.444 2.514 10 0 FFAELO Cc1ccc(-c2cncc(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c2)cc1 ZINC000136002810 508664321 /nfs/dbraw/zinc/66/43/21/508664321.db2.gz FZSTVVYDRVCQOJ-UWJYYQICSA-N 1 2 365.477 2.850 10 0 FFAELO CCOc1ccccc1NC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000118792413 508672687 /nfs/dbraw/zinc/67/26/87/508672687.db2.gz IETCJWIMHKLAPG-LJQANCHMSA-N 1 2 369.465 2.968 10 0 FFAELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CCO2)[nH]1 ZINC000154017163 508699808 /nfs/dbraw/zinc/69/98/08/508699808.db2.gz OGKTWYFJGFWAGG-MRXNPFEDSA-N 1 2 358.442 2.642 10 0 FFAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CCO2)[nH]1 ZINC000154017163 508699811 /nfs/dbraw/zinc/69/98/11/508699811.db2.gz OGKTWYFJGFWAGG-MRXNPFEDSA-N 1 2 358.442 2.642 10 0 FFAELO C[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000154144914 508725071 /nfs/dbraw/zinc/72/50/71/508725071.db2.gz ADHRGTQWZWCLRL-OAHLLOKOSA-N 1 2 358.405 2.944 10 0 FFAELO CCOc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000137001734 508731416 /nfs/dbraw/zinc/73/14/16/508731416.db2.gz LILJTEWQXUVMCN-INIZCTEOSA-N 1 2 361.467 2.944 10 0 FFAELO CCOc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000137001734 508731422 /nfs/dbraw/zinc/73/14/22/508731422.db2.gz LILJTEWQXUVMCN-INIZCTEOSA-N 1 2 361.467 2.944 10 0 FFAELO O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154238365 508743160 /nfs/dbraw/zinc/74/31/60/508743160.db2.gz DPWZLRPOCSPVHD-IPMKNSEASA-N 1 2 353.422 2.775 10 0 FFAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCC2(C3CC3)CC2)c2cccs2)CCO1 ZINC000129748217 508761905 /nfs/dbraw/zinc/76/19/05/508761905.db2.gz SAQWCRSPEBFWDQ-ZBFHGGJFSA-N 1 2 363.527 2.999 10 0 FFAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCC2(C3CC3)CC2)c2cccs2)CCO1 ZINC000129748217 508761910 /nfs/dbraw/zinc/76/19/10/508761910.db2.gz SAQWCRSPEBFWDQ-ZBFHGGJFSA-N 1 2 363.527 2.999 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510350843 /nfs/dbraw/zinc/35/08/43/510350843.db2.gz LUFGVUAWYCZNQC-XJKSGUPXSA-N 1 2 357.878 2.880 10 0 FFAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246192948 510350850 /nfs/dbraw/zinc/35/08/50/510350850.db2.gz LUFGVUAWYCZNQC-XJKSGUPXSA-N 1 2 357.878 2.880 10 0 FFAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000190836141 510367098 /nfs/dbraw/zinc/36/70/98/510367098.db2.gz FVCNHXSAMFLMII-AWEZNQCLSA-N 1 2 359.478 2.540 10 0 FFAELO CC1(C)C[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c2ccccc2O1 ZINC000178013563 510375401 /nfs/dbraw/zinc/37/54/01/510375401.db2.gz NQMFTCISGLGBQC-MRXNPFEDSA-N 1 2 361.486 2.699 10 0 FFAELO CC1(C)C[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c2ccccc2O1 ZINC000178013563 510375408 /nfs/dbraw/zinc/37/54/08/510375408.db2.gz NQMFTCISGLGBQC-MRXNPFEDSA-N 1 2 361.486 2.699 10 0 FFAELO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]c2ccc(OCC(N)=O)cc2)C1 ZINC000269387752 510377510 /nfs/dbraw/zinc/37/75/10/510377510.db2.gz UKHWAIAUOKCQNM-CQSZACIVSA-N 1 2 363.458 2.610 10 0 FFAELO CCOCC[N@@H+]1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@H]1CC ZINC000187682237 510385492 /nfs/dbraw/zinc/38/54/92/510385492.db2.gz BIMSDLNSBVQACZ-FUHWJXTLSA-N 1 2 368.543 2.584 10 0 FFAELO CCOCC[N@H+]1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@H]1CC ZINC000187682237 510385496 /nfs/dbraw/zinc/38/54/96/510385496.db2.gz BIMSDLNSBVQACZ-FUHWJXTLSA-N 1 2 368.543 2.584 10 0 FFAELO O=C(c1ccc(O)c(Cl)c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171814031 510386673 /nfs/dbraw/zinc/38/66/73/510386673.db2.gz SCSNUGMODTUDHK-SFHVURJKSA-N 1 2 360.841 2.537 10 0 FFAELO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000171816514 510388272 /nfs/dbraw/zinc/38/82/72/510388272.db2.gz HBGDXCDOJUXXBO-OAHLLOKOSA-N 1 2 366.469 2.616 10 0 FFAELO COCC[N@@H+]1CCN(C(=O)c2scc(C)c2Br)C[C@H]1C ZINC000190940027 510425492 /nfs/dbraw/zinc/42/54/92/510425492.db2.gz FPIKLGVKFRFEKI-LLVKDONJSA-N 1 2 361.305 2.612 10 0 FFAELO COCC[N@H+]1CCN(C(=O)c2scc(C)c2Br)C[C@H]1C ZINC000190940027 510425501 /nfs/dbraw/zinc/42/55/01/510425501.db2.gz FPIKLGVKFRFEKI-LLVKDONJSA-N 1 2 361.305 2.612 10 0 FFAELO Cc1csc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1Br ZINC000190954689 510431870 /nfs/dbraw/zinc/43/18/70/510431870.db2.gz KBPKAGZUZCLLBN-JQWIXIFHSA-N 1 2 373.316 2.612 10 0 FFAELO COc1cc(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)ccc1C ZINC000171903968 510442955 /nfs/dbraw/zinc/44/29/55/510442955.db2.gz JJEPQTRJYSNYRL-UHFFFAOYSA-N 1 2 374.510 2.796 10 0 FFAELO C[C@@H]1CN(Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000246468726 510506036 /nfs/dbraw/zinc/50/60/36/510506036.db2.gz NYHVTOXZIGIOFQ-FZKQIMNGSA-N 1 2 363.408 2.772 10 0 FFAELO CCOC(=O)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000194764781 510518418 /nfs/dbraw/zinc/51/84/18/510518418.db2.gz JDJCVSMWCFHNEP-BBRMVZONSA-N 1 2 361.829 2.520 10 0 FFAELO CC(C)CCO[C@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000175340946 510598797 /nfs/dbraw/zinc/59/87/97/510598797.db2.gz DKHZJIXGMNQUHW-KRWDZBQOSA-N 1 2 357.458 2.614 10 0 FFAELO Cc1cccnc1NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000175357360 510605990 /nfs/dbraw/zinc/60/59/90/510605990.db2.gz AFIZRBKEJNAHAJ-HNNXBMFYSA-N 1 2 360.483 2.989 10 0 FFAELO C[C@H](NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)c1ccccn1 ZINC000178444899 510606927 /nfs/dbraw/zinc/60/69/27/510606927.db2.gz RFCPORALYWKVNW-VYDXJSESSA-N 1 2 374.510 2.965 10 0 FFAELO C[C@H](NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)c1ccccn1 ZINC000178444899 510606934 /nfs/dbraw/zinc/60/69/34/510606934.db2.gz RFCPORALYWKVNW-VYDXJSESSA-N 1 2 374.510 2.965 10 0 FFAELO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1)C(=O)OC ZINC000246671150 510610538 /nfs/dbraw/zinc/61/05/38/510610538.db2.gz JKBGCDHMJPYYCV-DHSIGJKJSA-N 1 2 350.459 2.819 10 0 FFAELO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(C)o1)C(=O)OC ZINC000246671150 510610539 /nfs/dbraw/zinc/61/05/39/510610539.db2.gz JKBGCDHMJPYYCV-DHSIGJKJSA-N 1 2 350.459 2.819 10 0 FFAELO CC(C)S(=O)(=O)CC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246681210 510614463 /nfs/dbraw/zinc/61/44/63/510614463.db2.gz LWQUCCRBHWPJRC-CABCVRRESA-N 1 2 365.417 2.636 10 0 FFAELO CC(C)S(=O)(=O)CC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246681210 510614467 /nfs/dbraw/zinc/61/44/67/510614467.db2.gz LWQUCCRBHWPJRC-CABCVRRESA-N 1 2 365.417 2.636 10 0 FFAELO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H]([NH+]3CCOCC3)C1)CC2 ZINC000188149102 510618131 /nfs/dbraw/zinc/61/81/31/510618131.db2.gz SWJXJDKTAOTUFU-QUCCMNQESA-N 1 2 357.498 2.913 10 0 FFAELO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@H]([NH+]3CCOCC3)C1)CC2 ZINC000188149035 510618274 /nfs/dbraw/zinc/61/82/74/510618274.db2.gz SWJXJDKTAOTUFU-AZUAARDMSA-N 1 2 357.498 2.913 10 0 FFAELO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H]([NH+]3CCOCC3)C1)CC2 ZINC000188149056 510618692 /nfs/dbraw/zinc/61/86/92/510618692.db2.gz SWJXJDKTAOTUFU-ICSRJNTNSA-N 1 2 357.498 2.913 10 0 FFAELO COc1cc(OC)cc([C@H]2CCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)c1 ZINC000175404434 510629891 /nfs/dbraw/zinc/62/98/91/510629891.db2.gz 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CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000175816719 510805516 /nfs/dbraw/zinc/80/55/16/510805516.db2.gz SJBZRFORGQDOMX-CABCVRRESA-N 1 2 362.474 2.740 10 0 FFAELO Cc1csc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3Cl)CCO2)n1 ZINC000195404625 510814600 /nfs/dbraw/zinc/81/46/00/510814600.db2.gz VANLEBNNJCRZBL-BBRMVZONSA-N 1 2 368.886 2.918 10 0 FFAELO Cc1csc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3Cl)CCO2)n1 ZINC000195404625 510814604 /nfs/dbraw/zinc/81/46/04/510814604.db2.gz VANLEBNNJCRZBL-BBRMVZONSA-N 1 2 368.886 2.918 10 0 FFAELO C[C@H](NC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247048511 510817891 /nfs/dbraw/zinc/81/78/91/510817891.db2.gz IFRJHCSTVBFKBI-KFKAGJAMSA-N 1 2 370.453 2.523 10 0 FFAELO C[C@@H]1CN(C(=O)c2ccnc(SC(C)(C)C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000182224305 510822042 /nfs/dbraw/zinc/82/20/42/510822042.db2.gz JMCUYCZGTDMYJD-GDBMZVCRSA-N 1 2 363.527 2.765 10 0 FFAELO COc1cccc(COC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000247124278 510841241 /nfs/dbraw/zinc/84/12/41/510841241.db2.gz WVLPXOLPDMKAMH-YLJYHZDGSA-N 1 2 361.438 2.548 10 0 FFAELO COc1cccc(COC[C@H](O)C[N@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000247124278 510841246 /nfs/dbraw/zinc/84/12/46/510841246.db2.gz WVLPXOLPDMKAMH-YLJYHZDGSA-N 1 2 361.438 2.548 10 0 FFAELO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C2)c1 ZINC000247545211 510865185 /nfs/dbraw/zinc/86/51/85/510865185.db2.gz DLAPHMMJFPCBGQ-RBUKOAKNSA-N 1 2 356.445 2.987 10 0 FFAELO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C2)c1 ZINC000247545211 510865186 /nfs/dbraw/zinc/86/51/86/510865186.db2.gz DLAPHMMJFPCBGQ-RBUKOAKNSA-N 1 2 356.445 2.987 10 0 FFAELO CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247581224 510866724 /nfs/dbraw/zinc/86/67/24/510866724.db2.gz LXKDDLALQKFJBY-PMPSAXMXSA-N 1 2 364.490 2.986 10 0 FFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc3c(c1)NC(=O)C3(C)C)C2 ZINC000294960077 511235770 /nfs/dbraw/zinc/23/57/70/511235770.db2.gz YXQJDHDDRJYKBE-UHFFFAOYSA-N 1 2 366.465 2.972 10 0 FFAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CCN1C ZINC000279871520 511246892 /nfs/dbraw/zinc/24/68/92/511246892.db2.gz TYZAHLRRTSBSSU-QZTJIDSGSA-N 1 2 371.460 2.635 10 0 FFAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc4c(c3)C(=O)CCCC4)C[C@H]21 ZINC000333636025 511308467 /nfs/dbraw/zinc/30/84/67/511308467.db2.gz BMURDLQYWCNACV-IEBWSBKVSA-N 1 2 357.454 2.533 10 0 FFAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc4c(c3)C(=O)CCCC4)C[C@H]21 ZINC000333636025 511308470 /nfs/dbraw/zinc/30/84/70/511308470.db2.gz BMURDLQYWCNACV-IEBWSBKVSA-N 1 2 357.454 2.533 10 0 FFAELO CN(C)c1cc(NC(=O)N2CC3(C2)CCOCC3)[nH+]cc1Br ZINC000333653562 511313378 /nfs/dbraw/zinc/31/33/78/511313378.db2.gz KXGCXHUPTMLEPZ-UHFFFAOYSA-N 1 2 369.263 2.554 10 0 FFAELO Cc1ccc(-c2ncco2)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284620427 511797505 /nfs/dbraw/zinc/79/75/05/511797505.db2.gz AYCPLVHJAOKRPC-SJORKVTESA-N 1 2 356.426 2.587 10 0 FFAELO Cc1ccc(-c2ncco2)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284620427 511797512 /nfs/dbraw/zinc/79/75/12/511797512.db2.gz AYCPLVHJAOKRPC-SJORKVTESA-N 1 2 356.426 2.587 10 0 FFAELO CCC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000325202540 511845024 /nfs/dbraw/zinc/84/50/24/511845024.db2.gz GKUKWWYCBDKXDG-ZBFHGGJFSA-N 1 2 350.484 2.527 10 0 FFAELO CCC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000325202540 511845032 /nfs/dbraw/zinc/84/50/32/511845032.db2.gz GKUKWWYCBDKXDG-ZBFHGGJFSA-N 1 2 350.484 2.527 10 0 FFAELO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)CC[C@H]1CCOC1)CC2 ZINC000328628454 511899691 /nfs/dbraw/zinc/89/96/91/511899691.db2.gz HGWFXFKZBLZCFB-JKSUJKDBSA-N 1 2 363.527 2.773 10 0 FFAELO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)CC[C@H]1CCOC1)CC2 ZINC000328628454 511899698 /nfs/dbraw/zinc/89/96/98/511899698.db2.gz HGWFXFKZBLZCFB-JKSUJKDBSA-N 1 2 363.527 2.773 10 0 FFAELO Cc1ncc(C(=O)N2CCC[C@@H](Nc3ccc(N(C)C)[nH+]c3)CC2)c(C)n1 ZINC000328648826 511907449 /nfs/dbraw/zinc/90/74/49/511907449.db2.gz UTCHDCLQQZKOLQ-MRXNPFEDSA-N 1 2 368.485 2.661 10 0 FFAELO Cc1noc(C)c1CC(=O)N1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000328656741 511910993 /nfs/dbraw/zinc/91/09/93/511910993.db2.gz ZQLIHGZVXXTKEN-INIZCTEOSA-N 1 2 371.485 2.788 10 0 FFAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccccc3OC3CCCC3)C[C@@H]21 ZINC000285102659 511999748 /nfs/dbraw/zinc/99/97/48/511999748.db2.gz ZHRMWQCHMCFRMS-HKUYNNGSSA-N 1 2 359.470 2.945 10 0 FFAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccccc3OC3CCCC3)C[C@@H]21 ZINC000285102659 511999753 /nfs/dbraw/zinc/99/97/53/511999753.db2.gz ZHRMWQCHMCFRMS-HKUYNNGSSA-N 1 2 359.470 2.945 10 0 FFAELO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285294240 512068095 /nfs/dbraw/zinc/06/80/95/512068095.db2.gz VDUXCSYQRAKGBH-JKSUJKDBSA-N 1 2 356.426 2.587 10 0 FFAELO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285294240 512068100 /nfs/dbraw/zinc/06/81/00/512068100.db2.gz VDUXCSYQRAKGBH-JKSUJKDBSA-N 1 2 356.426 2.587 10 0 FFAELO COc1cccc2c1CCN(C(=O)NC[C@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000373905160 512564542 /nfs/dbraw/zinc/56/45/42/512564542.db2.gz KHAUYKQTYBXSJC-QGZVFWFLSA-N 1 2 368.481 2.888 10 0 FFAELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000408049611 512989441 /nfs/dbraw/zinc/98/94/41/512989441.db2.gz CBZCJHXWGRYFEX-NADOGSGZSA-N 1 2 371.525 2.942 10 0 FFAELO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000408156580 513010493 /nfs/dbraw/zinc/01/04/93/513010493.db2.gz ZUBDTZCUZYTUKT-BGTYHANMSA-N 1 2 360.502 2.691 10 0 FFAELO C[C@@H]1C[N@@H+](C)C[C@H](c2nc(Cc3cccc(Br)c3)no2)O1 ZINC000527543702 517741568 /nfs/dbraw/zinc/74/15/68/517741568.db2.gz OWRRVWKKXWSUGP-ZWNOBZJWSA-N 1 2 352.232 2.815 10 0 FFAELO C[C@@H]1C[N@H+](C)C[C@H](c2nc(Cc3cccc(Br)c3)no2)O1 ZINC000527543702 517741559 /nfs/dbraw/zinc/74/15/59/517741559.db2.gz OWRRVWKKXWSUGP-ZWNOBZJWSA-N 1 2 352.232 2.815 10 0 FFAELO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@H]1c1ccc2ccccc2n1 ZINC000616605095 520076683 /nfs/dbraw/zinc/07/66/83/520076683.db2.gz RWBIANSYNPMIEX-IBGZPJMESA-N 1 2 353.447 2.570 10 0 FFAELO O=C(C[NH+]1CCC(Cn2cc3[nH]cccc-3c2=O)CC1)c1ccc(F)cc1 ZINC000089223331 526728591 /nfs/dbraw/zinc/72/85/91/526728591.db2.gz OZVRWRJAEBGFHA-UHFFFAOYSA-N 1 2 367.424 2.771 10 0 FFAELO