smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)cc(C[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)c1O ZINC000894391102 945068060 /nfs/dbraw/zinc/06/80/60/945068060.db2.gz APYDQMMCPLUDAY-KRWDZBQOSA-N 1 0 368.437 3.641 20 10 FHCDRO CCCn1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000160170347 927072641 /nfs/dbraw/zinc/07/26/41/927072641.db2.gz UJHGFMZYZKCVCH-IBGZPJMESA-N 1 0 357.498 3.797 20 10 FHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1OC ZINC000160214519 927349044 /nfs/dbraw/zinc/34/90/44/927349044.db2.gz ZSAZFOPIWCQROZ-SFHVURJKSA-N 1 0 356.466 3.813 20 10 FHCDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000275630104 929633422 /nfs/dbraw/zinc/63/34/22/929633422.db2.gz SDYPEPXONYGIQG-RBBKRZOGSA-N 1 0 363.461 3.803 20 10 FHCDRO Cc1cc(F)ccc1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000255122879 929656480 /nfs/dbraw/zinc/65/64/80/929656480.db2.gz SILQNKRGYBDAJB-OQLLNIDSSA-N 1 0 366.527 3.923 20 10 FHCDRO COc1cc(O)c(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000160323753 929791103 /nfs/dbraw/zinc/79/11/03/929791103.db2.gz YTRKYAGTBMCQRR-KRWDZBQOSA-N 1 0 370.493 3.506 20 10 FHCDRO CCOc1cccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382444386 930081374 /nfs/dbraw/zinc/08/13/74/930081374.db2.gz IIFKSWMUULNYRF-HOCLYGCPSA-N 1 0 364.486 3.574 20 10 FHCDRO CN(Cc1ccccc1O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000045193051 930208911 /nfs/dbraw/zinc/20/89/11/930208911.db2.gz PALGWHJLODJULI-UHFFFAOYSA-N 1 0 367.493 3.720 20 10 FHCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)c1O ZINC000187634133 930430325 /nfs/dbraw/zinc/43/03/25/930430325.db2.gz KURAOWMMJVWKHX-YFVAEKQCSA-N 1 0 357.450 3.506 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3nnc(Cl)cc3C(C)(C)C)cc2)CC1 ZINC001167422926 930918939 /nfs/dbraw/zinc/91/89/39/930918939.db2.gz HFTNMFUSEPKBII-UHFFFAOYSA-N 1 0 373.932 3.791 20 10 FHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCN2CCOC2=O)cc1 ZINC000728302780 930942425 /nfs/dbraw/zinc/94/24/25/930942425.db2.gz WMMQGMKDYRNBDH-UHFFFAOYSA-N 1 0 367.493 3.645 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4ccc(Cl)nc4n3)cc2)CC1 ZINC001167426557 930949490 /nfs/dbraw/zinc/94/94/90/930949490.db2.gz JQCMQHJCDWEYDD-UHFFFAOYSA-N 1 0 367.884 3.647 20 10 FHCDRO COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2cc[nH]c21 ZINC001167434078 931136480 /nfs/dbraw/zinc/13/64/80/931136480.db2.gz ALNBLFOHHWNPQN-UHFFFAOYSA-N 1 0 350.466 3.540 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc(OCC4CCC4)nc3)cc2)CC1 ZINC001167434872 931153298 /nfs/dbraw/zinc/15/32/98/931153298.db2.gz XFPANUGGJOZCSQ-UHFFFAOYSA-N 1 0 366.509 3.624 20 10 FHCDRO COc1cccc2c(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccnc12 ZINC001167437635 931299284 /nfs/dbraw/zinc/29/92/84/931299284.db2.gz WPKIRDOKQVKOBX-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)cc4oncc43)cc2)CC1 ZINC001167441916 931462200 /nfs/dbraw/zinc/46/22/00/931462200.db2.gz YMRDFUYCRSIBDL-UHFFFAOYSA-N 1 0 356.857 3.845 20 10 FHCDRO Cn1nc2c(c1C[N@H+](Cc1ccccc1O)C1CCCCC1)COCC2 ZINC000891435968 932301995 /nfs/dbraw/zinc/30/19/95/932301995.db2.gz IWNRPHYIZOSOJS-UHFFFAOYSA-N 1 0 355.482 3.533 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)CC1 ZINC000255335676 932352036 /nfs/dbraw/zinc/35/20/36/932352036.db2.gz SJTSNIXNLIAAFR-GXDHUFHOSA-N 1 0 352.912 3.635 20 10 FHCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000780496547 933279406 /nfs/dbraw/zinc/27/94/06/933279406.db2.gz UTJITPPANDLXDQ-KRWDZBQOSA-N 1 0 361.404 3.939 20 10 FHCDRO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000176118023 933673905 /nfs/dbraw/zinc/67/39/05/933673905.db2.gz DRVSFOLMWGQAJN-VWLOTQADSA-N 1 0 361.507 3.765 20 10 FHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Br)ccc1O ZINC000134787290 934104438 /nfs/dbraw/zinc/10/44/38/934104438.db2.gz FXKUJSLKLZUYEL-SPGJAERMSA-N 1 0 352.272 3.763 20 10 FHCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000159223364 935817063 /nfs/dbraw/zinc/81/70/63/935817063.db2.gz CRVSPZQDHMWENS-AWEZNQCLSA-N 1 0 364.486 3.536 20 10 FHCDRO COc1ccc(N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000052636362 938458399 /nfs/dbraw/zinc/45/83/99/938458399.db2.gz WMWZLMRQEOSWIG-MRXNPFEDSA-N 1 0 364.449 3.628 20 10 FHCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000728594641 938992214 /nfs/dbraw/zinc/99/22/14/938992214.db2.gz SKYNNYOPNVBPLA-FQEVSTJZSA-N 1 0 372.557 3.550 20 10 FHCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000310053139 939113825 /nfs/dbraw/zinc/11/38/25/939113825.db2.gz UKIYZVCPEYRXSF-SWLSCSKDSA-N 1 0 354.878 3.923 20 10 FHCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000729475128 945270451 /nfs/dbraw/zinc/27/04/51/945270451.db2.gz QLCMRROLILBHFI-QFIPXVFZSA-N 1 0 369.484 3.639 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Br)c(F)cc1[O-] ZINC000756652954 945284402 /nfs/dbraw/zinc/28/44/02/945284402.db2.gz CYDDTMJALDJAFZ-ITIFCUTMSA-N 1 0 358.251 3.902 20 10 FHCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2F)CC1 ZINC000151510920 939999174 /nfs/dbraw/zinc/99/91/74/939999174.db2.gz FPUZZZUGUKPWID-FQEVSTJZSA-N 1 0 358.432 3.703 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1 ZINC000178169069 940740734 /nfs/dbraw/zinc/74/07/34/940740734.db2.gz PWZAENJNCSCAGR-OAHLLOKOSA-N 1 0 359.901 3.877 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N2CCCCC2)cc1 ZINC000178195380 940823779 /nfs/dbraw/zinc/82/37/79/940823779.db2.gz AIWRGFOUIRPXKA-AZUAARDMSA-N 1 0 365.525 3.787 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c(O)c1OC ZINC000892577894 940827049 /nfs/dbraw/zinc/82/70/49/940827049.db2.gz YEJCGPHQUNQEIR-UHFFFAOYSA-N 1 0 359.319 3.857 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cc(Br)cs2)c(O)c1OC ZINC000892606058 940927129 /nfs/dbraw/zinc/92/71/29/940927129.db2.gz DXZFHCPUUYAEAE-UHFFFAOYSA-N 1 0 358.257 3.523 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000376893843 941460923 /nfs/dbraw/zinc/46/09/23/941460923.db2.gz QPDMKVGWGPONLR-ACJLOTCBSA-N 1 0 368.437 3.894 20 10 FHCDRO CC[C@@H](c1ccccc1O)[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000377640511 941864839 /nfs/dbraw/zinc/86/48/39/941864839.db2.gz BKJSAUPZHGITTB-NRFANRHFSA-N 1 0 353.510 3.877 20 10 FHCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C)c1ccccc1O ZINC000377714126 941926518 /nfs/dbraw/zinc/92/65/18/941926518.db2.gz FEXRFPVIMLOBAK-BXWFABGCSA-N 1 0 361.461 3.650 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000122656893 942016187 /nfs/dbraw/zinc/01/61/87/942016187.db2.gz WMHNKSMHNFRUMH-CQSZACIVSA-N 1 0 360.889 3.616 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c(C(F)(F)F)c1 ZINC000279983909 942083856 /nfs/dbraw/zinc/08/38/56/942083856.db2.gz QPNMZSSKRRGLLT-MRXNPFEDSA-N 1 0 352.404 3.672 20 10 FHCDRO Cc1cccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000122821925 942249567 /nfs/dbraw/zinc/24/95/67/942249567.db2.gz BNARYUVBSIBLQZ-LJQANCHMSA-N 1 0 367.445 3.736 20 10 FHCDRO C[N@@H+](Cc1ccccc1O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167735247 942581228 /nfs/dbraw/zinc/58/12/28/942581228.db2.gz WKCBFMINDKOJGK-UHFFFAOYSA-N 1 0 368.477 3.873 20 10 FHCDRO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)c1cccs1 ZINC000378353473 942636682 /nfs/dbraw/zinc/63/66/82/942636682.db2.gz FXDDFAJHEKXRFP-UHFFFAOYSA-N 1 0 350.871 3.502 20 10 FHCDRO COc1cc(O)c(C[NH2+]CCCO[C@H]2CCCc3ccccc32)cc1OC ZINC000182260623 942703675 /nfs/dbraw/zinc/70/36/75/942703675.db2.gz WXGNFOVGDSJFNL-FQEVSTJZSA-N 1 0 371.477 3.983 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)c1 ZINC000182340617 942718794 /nfs/dbraw/zinc/71/87/94/942718794.db2.gz ANWMPWXKOGOMOP-CRAIPNDOSA-N 1 0 367.445 3.645 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)CCc1ccccc1 ZINC000182520119 942752539 /nfs/dbraw/zinc/75/25/39/942752539.db2.gz XRKQMUPHCUIWCX-FQEVSTJZSA-N 1 0 351.446 3.981 20 10 FHCDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183015499 942816800 /nfs/dbraw/zinc/81/68/00/942816800.db2.gz WUQZVCWGXZQRAR-UHFFFAOYSA-N 1 0 351.450 3.727 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)c(O)c1C ZINC000363855878 942861190 /nfs/dbraw/zinc/86/11/90/942861190.db2.gz BHBXXQPZKSWBPY-QUCCMNQESA-N 1 0 353.510 3.967 20 10 FHCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000273371411 942942629 /nfs/dbraw/zinc/94/26/29/942942629.db2.gz FEVWBXRITSWXBB-AEFFLSMTSA-N 1 0 361.413 3.558 20 10 FHCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Br)ccc1O ZINC000273393071 942946975 /nfs/dbraw/zinc/94/69/75/942946975.db2.gz LEOUEBOXNIRDHI-QMTHXVAHSA-N 1 0 350.260 3.616 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(O)c1C ZINC000273419048 942951877 /nfs/dbraw/zinc/95/18/77/942951877.db2.gz RRLHWRBMRWCFRM-INIZCTEOSA-N 1 0 358.457 3.836 20 10 FHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000273742972 943026506 /nfs/dbraw/zinc/02/65/06/943026506.db2.gz MDZZMUHDJPFYFG-BSNNYGBQSA-N 1 0 353.871 3.642 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000185157034 943112117 /nfs/dbraw/zinc/11/21/17/943112117.db2.gz DYOZNXGVFWBFAM-LSDHHAIUSA-N 1 0 354.450 3.939 20 10 FHCDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185177472 943117773 /nfs/dbraw/zinc/11/77/73/943117773.db2.gz OZOUQLDKOSZJFU-HNNXBMFYSA-N 1 0 352.478 3.872 20 10 FHCDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000503385355 943151007 /nfs/dbraw/zinc/15/10/07/943151007.db2.gz DDCMSCIWKYEBLE-UHFFFAOYSA-N 1 0 356.514 3.504 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccs2)C1 ZINC000435644397 943525447 /nfs/dbraw/zinc/52/54/47/943525447.db2.gz IUPMFCLIUAHQGB-UHFFFAOYSA-N 1 0 367.518 3.786 20 10 FHCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000364151882 943706569 /nfs/dbraw/zinc/70/65/69/943706569.db2.gz WDENBEMZKFBIEN-KNXBSLHKSA-N 1 0 358.526 3.504 20 10 FHCDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000123566156 944373705 /nfs/dbraw/zinc/37/37/05/944373705.db2.gz FVMSNQNUEFEHPB-QRWLVFNGSA-N 1 0 360.885 3.561 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)c1O ZINC000894350837 944433547 /nfs/dbraw/zinc/43/35/47/944433547.db2.gz TWDTVSJXOLDPDE-KRWDZBQOSA-N 1 0 371.477 3.723 20 10 FHCDRO COCCn1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000294310318 945042131 /nfs/dbraw/zinc/04/21/31/945042131.db2.gz NWAWSJINXOWQOH-OAQYLSRUSA-N 1 0 365.477 3.699 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)c1O ZINC000894855852 945443147 /nfs/dbraw/zinc/44/31/47/945443147.db2.gz UMXRVMHNFFPJBV-HNNXBMFYSA-N 1 0 370.449 3.907 20 10 FHCDRO Fc1cc(C[NH2+][C@@H](c2cccnc2)C2CCC2)ccc1N1CCOCC1 ZINC000280791647 945505214 /nfs/dbraw/zinc/50/52/14/945505214.db2.gz HMPBHAMNOCBJIX-OAQYLSRUSA-N 1 0 355.457 3.688 20 10 FHCDRO COc1ccc(N2CC[NH+](C[C@H]3CC[C@H](c4ccccc4)O3)CC2)cc1F ZINC001168066541 945941152 /nfs/dbraw/zinc/94/11/52/945941152.db2.gz AESBKHXPQDNHKF-TZIWHRDSSA-N 1 0 370.468 3.877 20 10 FHCDRO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756711470 945954546 /nfs/dbraw/zinc/95/45/46/945954546.db2.gz LCQVNZABDJSDIH-ABAIWWIYSA-N 1 0 366.255 3.548 20 10 FHCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cc2ccccc2o1 ZINC000181768873 946062526 /nfs/dbraw/zinc/06/25/26/946062526.db2.gz BTWOIOVLEICONJ-MRXNPFEDSA-N 1 0 365.477 3.808 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H]2C)C1 ZINC000444258419 946141128 /nfs/dbraw/zinc/14/11/28/946141128.db2.gz HCOYYNGKNPTUBJ-SJORKVTESA-N 1 0 353.510 3.665 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c(O)c1 ZINC000840759975 946180754 /nfs/dbraw/zinc/18/07/54/946180754.db2.gz PYLPCRKWADGNJH-CQSZACIVSA-N 1 0 362.420 3.666 20 10 FHCDRO CCCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236744740 946468291 /nfs/dbraw/zinc/46/82/91/946468291.db2.gz DRHZXNSVGRSZKW-JOCHJYFZSA-N 1 0 365.521 3.715 20 10 FHCDRO COc1cc(OC)c(C[NH2+]Cc2c(C)c3ccccc3n2C)c(OC)c1 ZINC000475193270 946662748 /nfs/dbraw/zinc/66/27/48/946662748.db2.gz BUMCXXQPKUXSRF-UHFFFAOYSA-N 1 0 354.450 3.802 20 10 FHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3csc(C(F)(F)F)n3)C2)cc1 ZINC000895006574 946829152 /nfs/dbraw/zinc/82/91/52/946829152.db2.gz RSUWIPGIZLVXKU-GFCCVEGCSA-N 1 0 371.428 3.787 20 10 FHCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000178459347 946830652 /nfs/dbraw/zinc/83/06/52/946830652.db2.gz OBDIYRWPJFIETG-KKSFZXQISA-N 1 0 358.457 3.701 20 10 FHCDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1Cl ZINC000236878340 946873230 /nfs/dbraw/zinc/87/32/30/946873230.db2.gz XJMHUEVGLBJJBL-LJQANCHMSA-N 1 0 359.901 3.664 20 10 FHCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000237470559 946971552 /nfs/dbraw/zinc/97/15/52/946971552.db2.gz QWSLBJCXLOGISR-QZTJIDSGSA-N 1 0 365.521 3.606 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNc3ncnc4sccc43)cc2F)CC1 ZINC000301180621 947218978 /nfs/dbraw/zinc/21/89/78/947218978.db2.gz HWCYGQVTYMBZOX-UHFFFAOYSA-N 1 0 371.485 3.584 20 10 FHCDRO COc1c([O-])c(C[NH2+][C@@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278857365 947546725 /nfs/dbraw/zinc/54/67/25/947546725.db2.gz LSDHNOWSQZTXCN-JTQLQIEISA-N 1 0 368.336 3.761 20 10 FHCDRO CCCC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000164495809 947571637 /nfs/dbraw/zinc/57/16/37/947571637.db2.gz VGPXTEDXIMREBL-KRWDZBQOSA-N 1 0 363.521 3.577 20 10 FHCDRO CC[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)ccc1O ZINC000278960860 948340550 /nfs/dbraw/zinc/34/05/50/948340550.db2.gz MIRIKHMVJUEICC-IUODEOHRSA-N 1 0 364.287 3.655 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccnc2F)C1 ZINC000843691106 948427277 /nfs/dbraw/zinc/42/72/77/948427277.db2.gz CZRGGDPGLSOBPR-UHFFFAOYSA-N 1 0 366.440 3.581 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000736533302 598885907 /nfs/dbraw/zinc/88/59/07/598885907.db2.gz YFOZQGHMXUUFCE-CQSZACIVSA-N 1 0 368.460 3.703 20 10 FHCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820920013 607013880 /nfs/dbraw/zinc/01/38/80/607013880.db2.gz IXRXVLXKICPZFB-IFXJQAMLSA-N 1 0 350.470 3.735 20 10 FHCDRO CCOc1ccc(O)c(C[N@H+](CC)[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825643975 608551094 /nfs/dbraw/zinc/55/10/94/608551094.db2.gz YXWDLCUPFNALNT-AWEZNQCLSA-N 1 0 367.453 3.554 20 10 FHCDRO CC[C@@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(N(C)C)cc1 ZINC000825139096 609250094 /nfs/dbraw/zinc/25/00/94/609250094.db2.gz BOMJEUOHTULFMX-LJQANCHMSA-N 1 0 362.481 3.663 20 10 FHCDRO CCC[N@@H+](Cc1ccccc1O)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000161530034 937120971 /nfs/dbraw/zinc/12/09/71/937120971.db2.gz MIUWQMLJJZSQFH-UHFFFAOYSA-N 1 0 357.479 3.719 20 10 FHCDRO CC(C)(C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CCC1 ZINC001266258506 927202170 /nfs/dbraw/zinc/20/21/70/927202170.db2.gz CIVMZARRMJSDLO-UHFFFAOYSA-N 1 0 369.553 3.661 20 10 FHCDRO CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1O ZINC000274789856 928355826 /nfs/dbraw/zinc/35/58/26/928355826.db2.gz RHUKWMKMGHFHBY-IBGZPJMESA-N 1 0 354.498 3.881 20 10 FHCDRO CC(C)[NH+](CCCNC(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000074854196 929050770 /nfs/dbraw/zinc/05/07/70/929050770.db2.gz PVLURZIRIONWJY-UHFFFAOYSA-N 1 0 360.546 3.595 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125699890 937327261 /nfs/dbraw/zinc/32/72/61/937327261.db2.gz UFLCATNWZLDZIP-MRXNPFEDSA-N 1 0 360.523 3.538 20 10 FHCDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000134042267 929730531 /nfs/dbraw/zinc/73/05/31/929730531.db2.gz VXJXIMPDSYQMRI-HNNXBMFYSA-N 1 0 352.906 3.522 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cc1 ZINC000160437698 930388863 /nfs/dbraw/zinc/38/88/63/930388863.db2.gz IFDDGDUPHZLRHS-IBGZPJMESA-N 1 0 367.537 3.826 20 10 FHCDRO CN(C)c1ccc([C@H](CNC(=O)c2sccc2C(F)F)[NH+](C)C)cc1 ZINC000891247267 930529082 /nfs/dbraw/zinc/52/90/82/930529082.db2.gz SFTXOJNDEADYGK-HNNXBMFYSA-N 1 0 367.465 3.784 20 10 FHCDRO Cc1ccccc1-c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC001167426272 930949080 /nfs/dbraw/zinc/94/90/80/930949080.db2.gz FESHTBGTVLEGSF-UHFFFAOYSA-N 1 0 373.504 3.816 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000471612987 931040783 /nfs/dbraw/zinc/04/07/83/931040783.db2.gz VWMACMXIGSXDEJ-HZPDHXFCSA-N 1 0 356.514 3.549 20 10 FHCDRO CC[NH+]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255276078 931605601 /nfs/dbraw/zinc/60/56/01/931605601.db2.gz ABMJFKCGJAXBEW-UHFFFAOYSA-N 1 0 351.454 3.678 20 10 FHCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)N(C)Cc3ccccc3)CC2)cc1 ZINC000160868654 931886647 /nfs/dbraw/zinc/88/66/47/931886647.db2.gz JGNPQWWUMVXGLE-LJQANCHMSA-N 1 0 367.537 3.774 20 10 FHCDRO CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1cc(Br)ccc1O ZINC000092325691 932007533 /nfs/dbraw/zinc/00/75/33/932007533.db2.gz POCRFYRQLNGOHH-HNNXBMFYSA-N 1 0 352.276 3.746 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276247895 932120219 /nfs/dbraw/zinc/12/02/19/932120219.db2.gz LSFUTBKQLQDEED-UHFFFAOYSA-N 1 0 369.509 3.618 20 10 FHCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000891552638 932747317 /nfs/dbraw/zinc/74/73/17/932747317.db2.gz CSNKNNMYFRCHEY-INIZCTEOSA-N 1 0 373.449 3.764 20 10 FHCDRO CN(C)c1ccc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276779293 933365869 /nfs/dbraw/zinc/36/58/69/933365869.db2.gz DCOLMBXIRLDXLR-IBGZPJMESA-N 1 0 370.497 3.757 20 10 FHCDRO COc1ccc2ccc(O)c(C[N@H+](C)Cc3ccc([S@@](C)=O)cc3)c2c1 ZINC000176125250 933750713 /nfs/dbraw/zinc/75/07/13/933750713.db2.gz BYLPZXBBRIEMAX-AREMUKBSSA-N 1 0 369.486 3.923 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)cc1 ZINC000157703592 935156869 /nfs/dbraw/zinc/15/68/69/935156869.db2.gz FMCLSUAYKWKAGJ-MSOLQXFVSA-N 1 0 368.525 3.614 20 10 FHCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(O)c1OC ZINC000892216294 935378385 /nfs/dbraw/zinc/37/83/85/935378385.db2.gz IBPYVGDSVNHOAZ-GJZGRUSLSA-N 1 0 363.479 3.559 20 10 FHCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCN1C ZINC000152948460 935915843 /nfs/dbraw/zinc/91/58/43/935915843.db2.gz BKMMCQLVVGFMQG-ZBFHGGJFSA-N 1 0 371.447 3.626 20 10 FHCDRO COC(=O)c1cc(N2C(C)(C)CC([NH3+])CC2(C)C)ccc1OC(F)F ZINC001167624662 936186718 /nfs/dbraw/zinc/18/67/18/936186718.db2.gz CYZXMVKFRPOUMX-UHFFFAOYSA-N 1 0 356.413 3.559 20 10 FHCDRO CCN(CCC[NH+](CC)CC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472291527 938281958 /nfs/dbraw/zinc/28/19/58/938281958.db2.gz JKNUGWZRPJVBOJ-UHFFFAOYSA-N 1 0 358.530 3.750 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000157769081 938427663 /nfs/dbraw/zinc/42/76/63/938427663.db2.gz RPGAVGFOHRVVOR-FCHUYYIVSA-N 1 0 352.478 3.784 20 10 FHCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000310052966 939113787 /nfs/dbraw/zinc/11/37/87/939113787.db2.gz UKIYZVCPEYRXSF-IUODEOHRSA-N 1 0 354.878 3.923 20 10 FHCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278793680 940025389 /nfs/dbraw/zinc/02/53/89/940025389.db2.gz QMMATKAQOHPQDA-GOPGUHFVSA-N 1 0 373.324 3.727 20 10 FHCDRO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000376146328 940367991 /nfs/dbraw/zinc/36/79/91/940367991.db2.gz DRELPPNIPLCIRY-SBUREZEXSA-N 1 0 366.505 3.612 20 10 FHCDRO COc1ccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)c(O)c1OC ZINC000892720540 941448652 /nfs/dbraw/zinc/44/86/52/941448652.db2.gz MEQQKIWHJJWCNF-KRWDZBQOSA-N 1 0 355.438 3.773 20 10 FHCDRO COc1ccc(C[NH2+]CCc2coc(-c3ccc(C)cc3)n2)c(O)c1OC ZINC000892786533 941551135 /nfs/dbraw/zinc/55/11/35/941551135.db2.gz SXQUXZNEYSVYBR-UHFFFAOYSA-N 1 0 368.433 3.705 20 10 FHCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCC[NH+](C)C)cc1 ZINC000729286630 941707909 /nfs/dbraw/zinc/70/79/09/941707909.db2.gz UHBJGWOQNHHIER-UHFFFAOYSA-N 1 0 357.498 3.606 20 10 FHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000377693515 941907425 /nfs/dbraw/zinc/90/74/25/941907425.db2.gz GSPOGRPMQYILRO-HZPDHXFCSA-N 1 0 365.437 3.911 20 10 FHCDRO CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(C)cc1O ZINC000280058352 942094337 /nfs/dbraw/zinc/09/43/37/942094337.db2.gz KDGHZFUWBMRGBG-OAQYLSRUSA-N 1 0 354.494 3.774 20 10 FHCDRO CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccc(C)cc1O ZINC000280062239 942094693 /nfs/dbraw/zinc/09/46/93/942094693.db2.gz KMEWPBFXAQQDKP-QUCCMNQESA-N 1 0 365.477 3.580 20 10 FHCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)s1 ZINC000280121800 942106285 /nfs/dbraw/zinc/10/62/85/942106285.db2.gz OHMYUSJDIIUWFV-JTQLQIEISA-N 1 0 359.900 3.752 20 10 FHCDRO C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1ccc(Br)cc1O ZINC000363851340 942846319 /nfs/dbraw/zinc/84/63/19/942846319.db2.gz IFLNUZJIAYKYGY-LBPRGKRZSA-N 1 0 373.254 3.586 20 10 FHCDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)CCC2 ZINC000363860827 942871181 /nfs/dbraw/zinc/87/11/81/942871181.db2.gz HLXHYPTVWBNQSC-CHWSQXEVSA-N 1 0 364.287 3.888 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000273306048 942928901 /nfs/dbraw/zinc/92/89/01/942928901.db2.gz CVJCCZULDSISLV-QWHCGFSZSA-N 1 0 361.438 3.838 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000273358130 942939731 /nfs/dbraw/zinc/93/97/31/942939731.db2.gz DFEABIXMXRZTQO-MRXNPFEDSA-N 1 0 354.498 3.799 20 10 FHCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273495920 942970686 /nfs/dbraw/zinc/97/06/86/942970686.db2.gz OJZDKKVNXWGSPM-FUHWJXTLSA-N 1 0 359.397 3.612 20 10 FHCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc2ccccc2c1O ZINC000273525953 942978003 /nfs/dbraw/zinc/97/80/03/942978003.db2.gz VEQUKUIINIHAPH-UQASEVPWSA-N 1 0 351.446 3.681 20 10 FHCDRO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc(Cl)ccc1O ZINC000273574620 942989364 /nfs/dbraw/zinc/98/93/64/942989364.db2.gz LKVSTAPGMLVVNV-ZDUSSCGKSA-N 1 0 362.857 3.849 20 10 FHCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000271740764 943042845 /nfs/dbraw/zinc/04/28/45/943042845.db2.gz CFRMRWWFKZKGKV-HUUCEWRRSA-N 1 0 373.428 3.982 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000184864065 943059575 /nfs/dbraw/zinc/05/95/75/943059575.db2.gz ATVIXJGMGYMWJT-OXQOHEQNSA-N 1 0 358.457 3.564 20 10 FHCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)N2CCCC2)c1 ZINC000184862761 943059860 /nfs/dbraw/zinc/05/98/60/943059860.db2.gz WLPGJMLLGFUHMV-IERDGZPVSA-N 1 0 370.493 3.897 20 10 FHCDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(N(C)C)cc3)ccc2NC1=O ZINC000271966829 943076307 /nfs/dbraw/zinc/07/63/07/943076307.db2.gz IBLVTJJQNDVUEX-IFXJQAMLSA-N 1 0 353.466 3.713 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000185156997 943112652 /nfs/dbraw/zinc/11/26/52/943112652.db2.gz DYOZNXGVFWBFAM-GJZGRUSLSA-N 1 0 354.450 3.939 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000185166237 943115966 /nfs/dbraw/zinc/11/59/66/943115966.db2.gz WGVKSKMOJIOOPJ-UZLBHIALSA-N 1 0 358.457 3.564 20 10 FHCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2O)c1 ZINC000185487149 943174859 /nfs/dbraw/zinc/17/48/59/943174859.db2.gz FPVJLOXIXIEYEW-SPLOXXLWSA-N 1 0 367.445 3.947 20 10 FHCDRO CN1CCCc2cc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)ccc21 ZINC000272654124 943194476 /nfs/dbraw/zinc/19/44/76/943194476.db2.gz FTHUACYZSLNXLZ-UHFFFAOYSA-N 1 0 355.448 3.575 20 10 FHCDRO CN(C)C(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000272985942 943255800 /nfs/dbraw/zinc/25/58/00/943255800.db2.gz YTJRBPAYDZJZCD-UHFFFAOYSA-N 1 0 352.478 3.750 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c(O)c1 ZINC000186744128 943363963 /nfs/dbraw/zinc/36/39/63/943363963.db2.gz IMJLBWSWCFUPAG-ZDUSSCGKSA-N 1 0 354.372 3.930 20 10 FHCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000283777179 943417086 /nfs/dbraw/zinc/41/70/86/943417086.db2.gz QQKCIYGGCRSUNG-UHFFFAOYSA-N 1 0 359.514 3.578 20 10 FHCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3nnc4cc(C)ccn43)CC2)c1 ZINC000364133142 943638964 /nfs/dbraw/zinc/63/89/64/943638964.db2.gz XUFDTRZSHNAKRY-UHFFFAOYSA-N 1 0 366.465 3.522 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC2CCC2)C1 ZINC000435874377 943828118 /nfs/dbraw/zinc/82/81/18/943828118.db2.gz JVFDCJQVERGROP-UHFFFAOYSA-N 1 0 353.510 3.666 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2Cc3ccccc3C2)C1 ZINC000435877831 943829868 /nfs/dbraw/zinc/82/98/68/943829868.db2.gz VKTDJQWSSNTODP-UHFFFAOYSA-N 1 0 373.500 3.950 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@@H](C)C2)C1 ZINC000436016622 943956223 /nfs/dbraw/zinc/95/62/23/943956223.db2.gz SFPGOONDCBUWKR-IAGOWNOFSA-N 1 0 353.510 3.713 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC000760020325 944035131 /nfs/dbraw/zinc/03/51/31/944035131.db2.gz VCNRUPZTOIELIG-SJLPKXTDSA-N 1 0 372.534 3.669 20 10 FHCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)COc2ccccc2)c1O ZINC000728781907 944055597 /nfs/dbraw/zinc/05/55/97/944055597.db2.gz IIJLGTVJXOSZIN-LBPRGKRZSA-N 1 0 366.255 3.720 20 10 FHCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Br)c2[O-])C[C@H]1C ZINC000781907148 944108385 /nfs/dbraw/zinc/10/83/85/944108385.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 1 0 355.320 3.768 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418095909 944150864 /nfs/dbraw/zinc/15/08/64/944150864.db2.gz HJHBJLZLINRJNI-PKOBYXMFSA-N 1 0 368.525 3.550 20 10 FHCDRO CC1=CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000437979831 944264534 /nfs/dbraw/zinc/26/45/34/944264534.db2.gz YVMYODSDHYYKFC-UHFFFAOYSA-N 1 0 351.494 3.586 20 10 FHCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167982695 944555035 /nfs/dbraw/zinc/55/50/35/944555035.db2.gz FWLTYAZSXMXXKQ-XYJFISCASA-N 1 0 373.415 3.873 20 10 FHCDRO CCc1nccn1[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000843763703 945549783 /nfs/dbraw/zinc/54/97/83/945549783.db2.gz KZJDNLMEACECTJ-MRXNPFEDSA-N 1 0 354.498 3.654 20 10 FHCDRO CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC001271241562 945557606 /nfs/dbraw/zinc/55/76/06/945557606.db2.gz GBCDMSSHYKBJLX-YESZJQIVSA-N 1 0 360.498 3.603 20 10 FHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncc(Cl)cn2)C1 ZINC000301492059 945813542 /nfs/dbraw/zinc/81/35/42/945813542.db2.gz OVAUMPQSWMJMIH-AWEZNQCLSA-N 1 0 353.253 3.566 20 10 FHCDRO CC(C)c1nsc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000301923461 946039546 /nfs/dbraw/zinc/03/95/46/946039546.db2.gz KMNFPOBQGAPUFA-UHFFFAOYSA-N 1 0 371.554 3.806 20 10 FHCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(Br)cc3O)C2)n1 ZINC000897044883 946519793 /nfs/dbraw/zinc/51/97/93/946519793.db2.gz PURYUSSPIAMGBX-GWCFXTLKSA-N 1 0 366.259 3.526 20 10 FHCDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000127216569 946614252 /nfs/dbraw/zinc/61/42/52/946614252.db2.gz YCDRRBWGJSYMCQ-UHFFFAOYSA-N 1 0 354.494 3.848 20 10 FHCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1)CC(F)(F)F ZINC000840915937 946758361 /nfs/dbraw/zinc/75/83/61/946758361.db2.gz DERBBPKVLDKEFU-INIZCTEOSA-N 1 0 357.464 3.767 20 10 FHCDRO CCc1nccn1[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843770691 946907683 /nfs/dbraw/zinc/90/76/83/946907683.db2.gz WIXGBRIAOHALFW-KRWDZBQOSA-N 1 0 356.514 3.900 20 10 FHCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000840842721 946932706 /nfs/dbraw/zinc/93/27/06/946932706.db2.gz YKLHPBNFNSZJNO-ZDUSSCGKSA-N 1 0 367.898 3.998 20 10 FHCDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796703316 947208343 /nfs/dbraw/zinc/20/83/43/947208343.db2.gz RQKLFBSSWVCVLX-MRXNPFEDSA-N 1 0 360.448 3.912 20 10 FHCDRO C[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000121300461 947326711 /nfs/dbraw/zinc/32/67/11/947326711.db2.gz IBUHBLCWVUUMHS-UHFFFAOYSA-N 1 0 362.477 3.545 20 10 FHCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1O ZINC000760034198 947580594 /nfs/dbraw/zinc/58/05/94/947580594.db2.gz LTOVLLBKXIBBPW-ZFWWWQNUSA-N 1 0 364.283 3.657 20 10 FHCDRO CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000925775569 948045848 /nfs/dbraw/zinc/04/58/48/948045848.db2.gz HLBDBJDCEFBSNZ-ZANVPECISA-N 1 0 353.240 3.985 20 10 FHCDRO Cc1cc(Br)cc(CN2CCC([NH+]3CCCCC3)CC2)c1O ZINC000317297113 948165225 /nfs/dbraw/zinc/16/52/25/948165225.db2.gz SIHNLZUDTQYKMT-UHFFFAOYSA-N 1 0 367.331 3.913 20 10 FHCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccccc1O ZINC000760040358 948299815 /nfs/dbraw/zinc/29/98/15/948299815.db2.gz JLMJYWLKHDBTBH-ZFWWWQNUSA-N 1 0 364.283 3.657 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)c1O ZINC000895087975 948371048 /nfs/dbraw/zinc/37/10/48/948371048.db2.gz YIAAMUSSUZKQEL-OAQYLSRUSA-N 1 0 353.462 3.869 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc([C@@H]3C[C@H]3C)no2)C1 ZINC000520655976 948510996 /nfs/dbraw/zinc/51/09/96/948510996.db2.gz CWDVEVQIUUSHCQ-GDBMZVCRSA-N 1 0 350.466 3.963 20 10 FHCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1 ZINC000179005018 948678767 /nfs/dbraw/zinc/67/87/67/948678767.db2.gz FJSVIXROSRWPGU-GOSISDBHSA-N 1 0 353.510 3.899 20 10 FHCDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000359971060 534776204 /nfs/dbraw/zinc/77/62/04/534776204.db2.gz AYDVJGWVRWJYFN-YADHBBJMSA-N 1 0 355.526 3.652 20 10 FHCDRO CC[N@H+](Cc1cc(Cl)ccc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428356 608549918 /nfs/dbraw/zinc/54/99/18/608549918.db2.gz KMPJGZSMYRRMAG-GFCCVEGCSA-N 1 0 357.845 3.809 20 10 FHCDRO Oc1cccc(Cl)c1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511068 608859614 /nfs/dbraw/zinc/85/96/14/608859614.db2.gz APEAXLRASXYBIX-UHFFFAOYSA-N 1 0 367.840 3.515 20 10 FHCDRO COc1cccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1O ZINC000161484470 936357703 /nfs/dbraw/zinc/35/77/03/936357703.db2.gz HXQKAHODRNGWLW-UHFFFAOYSA-N 1 0 360.429 3.779 20 10 FHCDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160190423 927162923 /nfs/dbraw/zinc/16/29/23/927162923.db2.gz QKQDLSGVHHNOJE-INIZCTEOSA-N 1 0 358.526 3.645 20 10 FHCDRO CCOc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000160199653 927229820 /nfs/dbraw/zinc/22/98/20/927229820.db2.gz LIKVQEOZRBPCKR-LJQANCHMSA-N 1 0 357.450 3.678 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCO1 ZINC000160208922 927286526 /nfs/dbraw/zinc/28/65/26/927286526.db2.gz MTIJJFATQXRUNF-FQEVSTJZSA-N 1 0 363.461 3.964 20 10 FHCDRO CCOc1ccc(O)c(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000123932260 937196126 /nfs/dbraw/zinc/19/61/26/937196126.db2.gz BSSATGPCULOARH-UHFFFAOYSA-N 1 0 355.463 3.642 20 10 FHCDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc2ccccc2c1O ZINC000274821845 928820947 /nfs/dbraw/zinc/82/09/47/928820947.db2.gz YNBIRXWMXXJJPV-INIZCTEOSA-N 1 0 363.461 3.628 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)CC1 ZINC000255135033 929801275 /nfs/dbraw/zinc/80/12/75/929801275.db2.gz RMBJIGZDMLKOQH-GXDHUFHOSA-N 1 0 352.912 3.635 20 10 FHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000175837399 929858287 /nfs/dbraw/zinc/85/82/87/929858287.db2.gz OBAMPAAAYHASMR-RDJZCZTQSA-N 1 0 363.454 3.884 20 10 FHCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccsc2C(F)F)[NH+](C)C)cc1 ZINC000891243697 930503771 /nfs/dbraw/zinc/50/37/71/930503771.db2.gz TWESMOFCQLRXQT-HNNXBMFYSA-N 1 0 367.465 3.784 20 10 FHCDRO CN(C)c1ccc([C@H](CNC(=O)c2cscc2Cl)[NH+](C)C)cc1 ZINC000891248248 930533223 /nfs/dbraw/zinc/53/32/23/930533223.db2.gz XEPUEFFULCLWIS-INIZCTEOSA-N 1 0 351.903 3.500 20 10 FHCDRO Cc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000275914297 930841331 /nfs/dbraw/zinc/84/13/31/930841331.db2.gz SYBYKJGITXSKPK-UHFFFAOYSA-N 1 0 362.477 3.846 20 10 FHCDRO CC(C)c1cc(Cl)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167431089 931031243 /nfs/dbraw/zinc/03/12/43/931031243.db2.gz GNRNENKRPFIRGW-UHFFFAOYSA-N 1 0 359.905 3.617 20 10 FHCDRO COc1ccc2cccnc2c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431155 931032109 /nfs/dbraw/zinc/03/21/09/931032109.db2.gz JTIBGJXOZLZMGZ-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000091957494 931293716 /nfs/dbraw/zinc/29/37/16/931293716.db2.gz MJVZMLXCHWVFAV-GOEBONIOSA-N 1 0 366.255 3.836 20 10 FHCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4ccncc43)c2)CC1 ZINC000843579528 932833848 /nfs/dbraw/zinc/83/38/48/932833848.db2.gz UKARCRPXWSZMLI-UHFFFAOYSA-N 1 0 360.461 3.629 20 10 FHCDRO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000176118036 933674286 /nfs/dbraw/zinc/67/42/86/933674286.db2.gz DRVSFOLMWGQAJN-RUZDIDTESA-N 1 0 361.507 3.765 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(C)C)C1 ZINC000520951526 934037602 /nfs/dbraw/zinc/03/76/02/934037602.db2.gz CFXNRNSFFMYKKP-UHFFFAOYSA-N 1 0 355.526 3.959 20 10 FHCDRO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1O ZINC000277017201 934454428 /nfs/dbraw/zinc/45/44/28/934454428.db2.gz CTNOJHFXZPFEEV-OAHLLOKOSA-N 1 0 353.871 3.690 20 10 FHCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000157060841 935017377 /nfs/dbraw/zinc/01/73/77/935017377.db2.gz RPFPJTZSRHYPEQ-OAHLLOKOSA-N 1 0 369.465 3.590 20 10 FHCDRO CCOc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1OC(F)F ZINC000894328308 945073736 /nfs/dbraw/zinc/07/37/36/945073736.db2.gz AWFAVTICLLCFFI-UHFFFAOYSA-N 1 0 367.392 3.999 20 10 FHCDRO Cc1noc(C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccccc2)n1 ZINC000277656230 935781689 /nfs/dbraw/zinc/78/16/89/935781689.db2.gz NMQPSCXUFIJONN-SFHVURJKSA-N 1 0 354.429 3.657 20 10 FHCDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCN1C ZINC000152948328 935916008 /nfs/dbraw/zinc/91/60/08/935916008.db2.gz BKMMCQLVVGFMQG-GOEBONIOSA-N 1 0 371.447 3.626 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000472239529 935917129 /nfs/dbraw/zinc/91/71/29/935917129.db2.gz LBNXGHBXBLIVGA-SFHVURJKSA-N 1 0 368.525 3.647 20 10 FHCDRO CCC[NH+]1CCC(N(C)C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472241122 935935405 /nfs/dbraw/zinc/93/54/05/935935405.db2.gz LXHZPECBFOUHRY-UHFFFAOYSA-N 1 0 356.514 3.503 20 10 FHCDRO C[NH2+]C1CCC([N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708110402 936051044 /nfs/dbraw/zinc/05/10/44/936051044.db2.gz CAHSTRUDWBQPDP-UHFFFAOYSA-N 1 0 361.711 3.771 20 10 FHCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)cc1 ZINC000052584042 938408232 /nfs/dbraw/zinc/40/82/32/938408232.db2.gz REDYDBZWPUIJKO-UHFFFAOYSA-N 1 0 354.494 3.990 20 10 FHCDRO COc1cc(O)c(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1OC ZINC000158834850 938589124 /nfs/dbraw/zinc/58/91/24/938589124.db2.gz GPPFYLAOEMOSLT-UHFFFAOYSA-N 1 0 368.433 3.930 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1O ZINC000894394787 945212619 /nfs/dbraw/zinc/21/26/19/945212619.db2.gz WLLVWQLWMBZORI-QGZVFWFLSA-N 1 0 368.437 3.641 20 10 FHCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(Br)s2)cc1OC ZINC000179476037 939172533 /nfs/dbraw/zinc/17/25/33/939172533.db2.gz HEAWQZLHDVSSEM-UHFFFAOYSA-N 1 0 372.284 3.865 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)cc1 ZINC000162241128 939934908 /nfs/dbraw/zinc/93/49/08/939934908.db2.gz PKCYSAHYSFWQTK-KRWDZBQOSA-N 1 0 367.541 3.869 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c(O)c1OC ZINC000892506268 940181446 /nfs/dbraw/zinc/18/14/46/940181446.db2.gz ACICZZIGOANUKS-LLVKDONJSA-N 1 0 353.365 3.862 20 10 FHCDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cnc1F ZINC000892622453 940999901 /nfs/dbraw/zinc/99/99/01/940999901.db2.gz QEAIOQBIHSXAOY-GASCZTMLSA-N 1 0 361.436 3.572 20 10 FHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000377693521 941907677 /nfs/dbraw/zinc/90/76/77/941907677.db2.gz GULAYPATZWQBNJ-LJQANCHMSA-N 1 0 356.514 3.829 20 10 FHCDRO COc1ccc(C[NH2+]C[C@H](OC)c2cccc(Cl)c2)c(O)c1OC ZINC000893077144 941989610 /nfs/dbraw/zinc/98/96/10/941989610.db2.gz HVRFWBQDLCNTRK-INIZCTEOSA-N 1 0 351.830 3.540 20 10 FHCDRO CC[C@H]([NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(C)cc1O ZINC000280007359 942085271 /nfs/dbraw/zinc/08/52/71/942085271.db2.gz GLCNWGOJNWIPRO-HOCLYGCPSA-N 1 0 351.454 3.991 20 10 FHCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000280191430 942123642 /nfs/dbraw/zinc/12/36/42/942123642.db2.gz SFHPPWQLBWSDCV-CYBMUJFWSA-N 1 0 353.509 3.715 20 10 FHCDRO C[N@H+](Cc1cc(Br)ccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000179314798 942210956 /nfs/dbraw/zinc/21/09/56/942210956.db2.gz ZHKXVFHLUIIMOG-UHFFFAOYSA-N 1 0 351.200 3.695 20 10 FHCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(NC(N)=O)cc2)c(C(F)(F)F)c1 ZINC000280092331 942609428 /nfs/dbraw/zinc/60/94/28/942609428.db2.gz ZDUKPVFZHJEHRR-UHFFFAOYSA-N 1 0 366.387 3.552 20 10 FHCDRO N#Cc1ccc(CN2CCC([NH2+]CCCSc3nccs3)CC2)cc1 ZINC000181773728 942611938 /nfs/dbraw/zinc/61/19/38/942611938.db2.gz JHMAPQWOIFUBJG-UHFFFAOYSA-N 1 0 372.563 3.751 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c(O)c1OC ZINC000893222829 942706883 /nfs/dbraw/zinc/70/68/83/942706883.db2.gz VXCDATRUMDWECR-QAPCUYQASA-N 1 0 357.450 3.667 20 10 FHCDRO Cc1nc(C[NH2+]Cc2cc(Br)cc(C)c2O)c2n1CCCC2 ZINC000378521372 942856656 /nfs/dbraw/zinc/85/66/56/942856656.db2.gz UZNXNJHGNHYWJH-UHFFFAOYSA-N 1 0 364.287 3.594 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)c1 ZINC000363855279 942859600 /nfs/dbraw/zinc/85/96/00/942859600.db2.gz NJOKFLOZLIJTOO-SJLPKXTDSA-N 1 0 362.477 3.549 20 10 FHCDRO Cc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1C ZINC000273350629 942938195 /nfs/dbraw/zinc/93/81/95/942938195.db2.gz BPBDQHVQWZAGGF-OXQOHEQNSA-N 1 0 367.493 3.632 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c(O)c1 ZINC000273407059 942949533 /nfs/dbraw/zinc/94/95/33/942949533.db2.gz OQYFCCGHFXRQQT-LLVKDONJSA-N 1 0 350.344 3.613 20 10 FHCDRO C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(F)cc1O ZINC000273449282 942959427 /nfs/dbraw/zinc/95/94/27/942959427.db2.gz FRXRFBYWCNLISE-CQSZACIVSA-N 1 0 358.461 3.630 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273497331 942971755 /nfs/dbraw/zinc/97/17/55/942971755.db2.gz PLGURRBSOVXBHP-ZBEGNZNMSA-N 1 0 366.255 3.548 20 10 FHCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000363910686 943034602 /nfs/dbraw/zinc/03/46/02/943034602.db2.gz RTXIFQZEPJRUCM-IMAQQZIHSA-N 1 0 358.526 3.502 20 10 FHCDRO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000185394451 943159964 /nfs/dbraw/zinc/15/99/64/943159964.db2.gz SUAYALISDXSBGO-UONOGXRCSA-N 1 0 352.450 3.829 20 10 FHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000272979028 943254126 /nfs/dbraw/zinc/25/41/26/943254126.db2.gz QECJKUKUMNRUKL-BUBHHJDNSA-N 1 0 365.882 3.836 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1O ZINC000894579841 944285659 /nfs/dbraw/zinc/28/56/59/944285659.db2.gz PQQDZJKHBSLKBG-UHFFFAOYSA-N 1 0 370.327 3.926 20 10 FHCDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000123661216 944399381 /nfs/dbraw/zinc/39/93/81/944399381.db2.gz JYIQHLZMXRSUFW-LBPRGKRZSA-N 1 0 351.903 3.792 20 10 FHCDRO CC[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1O ZINC000364356400 944453395 /nfs/dbraw/zinc/45/33/95/944453395.db2.gz QQIJMWCGPNTFET-SJLPKXTDSA-N 1 0 366.440 3.846 20 10 FHCDRO CCc1cccc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)c1O ZINC000709463834 944636589 /nfs/dbraw/zinc/63/65/89/944636589.db2.gz QUBZRWPMXYDLPL-FQEVSTJZSA-N 1 0 350.503 3.984 20 10 FHCDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297754081 944926432 /nfs/dbraw/zinc/92/64/32/944926432.db2.gz ONRSUSDEUSEIRY-AWEZNQCLSA-N 1 0 360.841 3.660 20 10 FHCDRO COc1ccccc1/C=C/C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121310711 946518768 /nfs/dbraw/zinc/51/87/68/946518768.db2.gz CRCKIEOCUYHWKG-FNORWQNLSA-N 1 0 352.478 3.677 20 10 FHCDRO CCOc1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1O ZINC000897267311 947079588 /nfs/dbraw/zinc/07/95/88/947079588.db2.gz GWZKOOIPOVXJFS-GOSISDBHSA-N 1 0 369.461 3.642 20 10 FHCDRO CC(C)(C)c1cc(C[NH2+]C[C@H](O)COCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000236779207 947685372 /nfs/dbraw/zinc/68/53/72/947685372.db2.gz HMUAJDPTMLUAIQ-SFHVURJKSA-N 1 0 363.542 3.864 20 10 FHCDRO C[NH2+]CCC1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000262100154 947821960 /nfs/dbraw/zinc/82/19/60/947821960.db2.gz SRTMHTVCDJLVLE-UHFFFAOYSA-N 1 0 369.509 3.564 20 10 FHCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3c(F)cccc3F)c2)CC1 ZINC000162981019 948112916 /nfs/dbraw/zinc/11/29/16/948112916.db2.gz PWJOCLNKPPFPMA-UHFFFAOYSA-N 1 0 359.420 3.748 20 10 FHCDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000159437151 948132525 /nfs/dbraw/zinc/13/25/25/948132525.db2.gz IMELENRQCUCCBW-OXJNMPFZSA-N 1 0 352.494 3.500 20 10 FHCDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066973950 948134037 /nfs/dbraw/zinc/13/40/37/948134037.db2.gz ITOWLAUPTRGYRY-UHFFFAOYSA-N 1 0 372.484 3.987 20 10 FHCDRO C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000163003113 948222667 /nfs/dbraw/zinc/22/26/67/948222667.db2.gz LXTCTXWJADEKSP-CQSZACIVSA-N 1 0 364.411 3.834 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc([C@H]3C[C@@H]3C)no2)C1 ZINC000520655984 948511440 /nfs/dbraw/zinc/51/14/40/948511440.db2.gz CWDVEVQIUUSHCQ-HOCLYGCPSA-N 1 0 350.466 3.963 20 10 FHCDRO CC(C)n1nccc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000365430635 568664089 /nfs/dbraw/zinc/66/40/89/568664089.db2.gz OYUVINRMMFXFSS-UHFFFAOYSA-N 1 0 364.440 3.824 20 10 FHCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820920015 607014529 /nfs/dbraw/zinc/01/45/29/607014529.db2.gz IXRXVLXKICPZFB-LIRRHRJNSA-N 1 0 350.470 3.735 20 10 FHCDRO CC[N@H+](Cc1c(O)cccc1Cl)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429182 608550260 /nfs/dbraw/zinc/55/02/60/608550260.db2.gz XZHYQWQAKUZQRZ-GFCCVEGCSA-N 1 0 357.845 3.809 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C1CCCC1 ZINC000826511259 608695324 /nfs/dbraw/zinc/69/53/24/608695324.db2.gz IOATVSFGPKQXCW-UHFFFAOYSA-N 1 0 355.467 3.579 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000160177606 927103965 /nfs/dbraw/zinc/10/39/65/927103965.db2.gz ZPBFOKQLLDHKHC-FQEVSTJZSA-N 1 0 363.461 3.964 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCCO1 ZINC000160177785 927104365 /nfs/dbraw/zinc/10/43/65/927104365.db2.gz ZPBFOKQLLDHKHC-HXUWFJFHSA-N 1 0 363.461 3.964 20 10 FHCDRO COCCOc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000160200681 927224270 /nfs/dbraw/zinc/22/42/70/927224270.db2.gz GRWTUFVDSUWQJC-NRFANRHFSA-N 1 0 371.477 3.599 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000125754370 937331377 /nfs/dbraw/zinc/33/13/77/937331377.db2.gz HMYRGVUIRMIMFZ-FQEVSTJZSA-N 1 0 360.523 3.538 20 10 FHCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1OC ZINC000160476570 930582689 /nfs/dbraw/zinc/58/26/89/930582689.db2.gz KMJGTTQFUWAGGF-CQSZACIVSA-N 1 0 363.841 3.716 20 10 FHCDRO CC[C@@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1O ZINC000155792974 930886625 /nfs/dbraw/zinc/88/66/25/930886625.db2.gz AJCAQTQVYMBTKI-LJQANCHMSA-N 1 0 357.498 3.950 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000471604156 930961164 /nfs/dbraw/zinc/96/11/64/930961164.db2.gz ISGGCXFXHXYFSS-KRWDZBQOSA-N 1 0 370.541 3.798 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC001167431104 931031197 /nfs/dbraw/zinc/03/11/97/931031197.db2.gz HETJGTYYJNJZQQ-UHFFFAOYSA-N 1 0 371.353 3.746 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000471612986 931040561 /nfs/dbraw/zinc/04/05/61/931040561.db2.gz VWMACMXIGSXDEJ-HOTGVXAUSA-N 1 0 356.514 3.549 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cccc(-c4cccnc4)n3)cc2)CC1 ZINC001167436805 931259607 /nfs/dbraw/zinc/25/96/07/931259607.db2.gz AAJPWFFRCVLSOU-UHFFFAOYSA-N 1 0 359.477 3.508 20 10 FHCDRO COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ccncc12 ZINC001167441583 931448838 /nfs/dbraw/zinc/44/88/38/931448838.db2.gz PQWQKWVYKTYYDU-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(OCC)ccc1O ZINC000160899232 932058547 /nfs/dbraw/zinc/05/85/47/932058547.db2.gz WHWTWOVBCBIXHB-UHFFFAOYSA-N 1 0 372.465 3.650 20 10 FHCDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(O)c1OC ZINC000891577634 932784595 /nfs/dbraw/zinc/78/45/95/932784595.db2.gz DHXKILAWUIYTAO-OAHLLOKOSA-N 1 0 368.433 3.930 20 10 FHCDRO c1cc(NCc2ccc(N3CCOCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000121599423 933571825 /nfs/dbraw/zinc/57/18/25/933571825.db2.gz KRHRJNWZGGJHRN-UHFFFAOYSA-N 1 0 351.494 3.731 20 10 FHCDRO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@H]1CCOC1 ZINC000176103587 934123206 /nfs/dbraw/zinc/12/32/06/934123206.db2.gz DEFVKJWGYPUPPV-GFCCVEGCSA-N 1 0 350.256 3.776 20 10 FHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000276997800 934431924 /nfs/dbraw/zinc/43/19/24/934431924.db2.gz JFOBRSHFVUFJAH-UHFFFAOYSA-N 1 0 360.461 3.608 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277108397 934492777 /nfs/dbraw/zinc/49/27/77/934492777.db2.gz MHXWAIDFODMEFX-UGSOOPFHSA-N 1 0 353.422 3.727 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277108387 934492873 /nfs/dbraw/zinc/49/28/73/934492873.db2.gz MHXWAIDFODMEFX-FZKQIMNGSA-N 1 0 353.422 3.727 20 10 FHCDRO CCCOc1ccc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c(O)c1 ZINC000277635114 935763675 /nfs/dbraw/zinc/76/36/75/935763675.db2.gz LIXMMMFDSLOHON-LJQANCHMSA-N 1 0 367.449 3.946 20 10 FHCDRO Cc1noc(C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccccc2)n1 ZINC000277656228 935781835 /nfs/dbraw/zinc/78/18/35/935781835.db2.gz NMQPSCXUFIJONN-GOSISDBHSA-N 1 0 354.429 3.657 20 10 FHCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000161796339 938322432 /nfs/dbraw/zinc/32/24/32/938322432.db2.gz RYYJUPKOODTKHG-UHFFFAOYSA-N 1 0 357.373 3.893 20 10 FHCDRO CCn1cc([C@@H](C)[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000157729585 938420137 /nfs/dbraw/zinc/42/01/37/938420137.db2.gz MIJLCPTXHDDMNL-CQSZACIVSA-N 1 0 364.440 3.824 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000133244643 938568487 /nfs/dbraw/zinc/56/84/87/938568487.db2.gz GIZSZNVCAUBEOC-INIZCTEOSA-N 1 0 355.482 3.691 20 10 FHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1OC ZINC000158861301 938592864 /nfs/dbraw/zinc/59/28/64/938592864.db2.gz FFBUAXGDSADMHI-CQSZACIVSA-N 1 0 368.433 3.930 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H](c2nc(-c3ccncc3)no2)C(C)C)c1O ZINC000894394786 945213260 /nfs/dbraw/zinc/21/32/60/945213260.db2.gz WLLVWQLWMBZORI-KRWDZBQOSA-N 1 0 368.437 3.641 20 10 FHCDRO COc1cccc(C2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000179441541 939160966 /nfs/dbraw/zinc/16/09/66/939160966.db2.gz OALNQVPFASMIJS-UHFFFAOYSA-N 1 0 357.450 3.798 20 10 FHCDRO COc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c(O)c1OC ZINC000892452802 939192375 /nfs/dbraw/zinc/19/23/75/939192375.db2.gz AQBNJJPEAQAZMJ-IBGZPJMESA-N 1 0 373.449 3.668 20 10 FHCDRO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179566001 939889791 /nfs/dbraw/zinc/88/97/91/939889791.db2.gz LYBWUDPMEBKUFU-UHFFFAOYSA-N 1 0 359.857 3.785 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)c(O)c1OC ZINC000892473013 939902919 /nfs/dbraw/zinc/90/29/19/939902919.db2.gz GKJHAPMTVVFODY-UHFFFAOYSA-N 1 0 357.328 3.598 20 10 FHCDRO O=C1CCCCCN1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725841408 939955245 /nfs/dbraw/zinc/95/52/45/939955245.db2.gz FSZCMUDDOVQUDY-UHFFFAOYSA-N 1 0 352.478 3.942 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N2CCCCC2)cc1 ZINC000178195397 940824168 /nfs/dbraw/zinc/82/41/68/940824168.db2.gz AIWRGFOUIRPXKA-ICSRJNTNSA-N 1 0 365.525 3.787 20 10 FHCDRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395783 941152364 /nfs/dbraw/zinc/15/23/64/941152364.db2.gz GMRAFMHJNWUSLR-ACJLOTCBSA-N 1 0 363.299 3.899 20 10 FHCDRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000311272794 941163492 /nfs/dbraw/zinc/16/34/92/941163492.db2.gz XWGBLPQIWJJRPJ-UHFFFAOYSA-N 1 0 360.429 3.846 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000066699661 941222250 /nfs/dbraw/zinc/22/22/50/941222250.db2.gz YZGGVCOSWCAYPP-GOSISDBHSA-N 1 0 361.530 3.826 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000311444305 941303488 /nfs/dbraw/zinc/30/34/88/941303488.db2.gz WADCNPYRWVJSPP-SFHVURJKSA-N 1 0 361.530 3.878 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2nc(-c3ccccc3)no2)c1 ZINC000376893691 941461024 /nfs/dbraw/zinc/46/10/24/941461024.db2.gz QBQMZPGHHCEWPE-KGLIPLIRSA-N 1 0 353.422 3.733 20 10 FHCDRO Cc1cc([C@H](C)[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)no1 ZINC000377093884 941514244 /nfs/dbraw/zinc/51/42/44/941514244.db2.gz TYAUUBPCQYKYQB-ZDUSSCGKSA-N 1 0 351.397 3.904 20 10 FHCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000729346503 941726531 /nfs/dbraw/zinc/72/65/31/941726531.db2.gz XXBIBTSRIJBNCY-NRFANRHFSA-N 1 0 357.542 3.804 20 10 FHCDRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H](C)c2cc(C)ccc2O)oc1C ZINC000377770975 941979073 /nfs/dbraw/zinc/97/90/73/941979073.db2.gz CMQWWVUFKAUZPS-PVAVHDDUSA-N 1 0 361.461 3.569 20 10 FHCDRO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(N(C)C)cc1 ZINC000177992838 942048128 /nfs/dbraw/zinc/04/81/28/942048128.db2.gz XQESHESZRDMPOG-QGZVFWFLSA-N 1 0 351.494 3.726 20 10 FHCDRO Cc1ccc([C@@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280627539 942217492 /nfs/dbraw/zinc/21/74/92/942217492.db2.gz GNSQIIREFQPFQD-UZLBHIALSA-N 1 0 361.507 3.581 20 10 FHCDRO Cc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1O ZINC000179933183 942303252 /nfs/dbraw/zinc/30/32/52/942303252.db2.gz GGJRGJXUKLXBDG-UHFFFAOYSA-N 1 0 350.422 3.525 20 10 FHCDRO COc1cc(C)cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c1O ZINC000894244511 942322098 /nfs/dbraw/zinc/32/20/98/942322098.db2.gz IRJAGBALDZOFDN-UHFFFAOYSA-N 1 0 356.397 3.836 20 10 FHCDRO COc1cc(O)c(C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1OC ZINC000180398902 942362108 /nfs/dbraw/zinc/36/21/08/942362108.db2.gz COESZMSWQKDZSM-UHFFFAOYSA-N 1 0 356.466 3.794 20 10 FHCDRO COc1ccc(O)c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000180649870 942400597 /nfs/dbraw/zinc/40/05/97/942400597.db2.gz RYMCZKQQMROYOO-HXUWFJFHSA-N 1 0 353.418 3.730 20 10 FHCDRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000312212095 942913670 /nfs/dbraw/zinc/91/36/70/942913670.db2.gz XCHYWTJRXOTTRL-UHFFFAOYSA-N 1 0 368.477 3.936 20 10 FHCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273300318 942926970 /nfs/dbraw/zinc/92/69/70/942926970.db2.gz BEXRIZXGZBUNOF-HNNXBMFYSA-N 1 0 352.434 3.816 20 10 FHCDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(N(C)C)cc3)ccc2NC1=O ZINC000271966828 943076436 /nfs/dbraw/zinc/07/64/36/943076436.db2.gz IBLVTJJQNDVUEX-AUUYWEPGSA-N 1 0 353.466 3.713 20 10 FHCDRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc2ccccc2c1O ZINC000185552810 943183775 /nfs/dbraw/zinc/18/37/75/943183775.db2.gz VADBJLBXNAPDEQ-WBVHZDCISA-N 1 0 350.466 3.599 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)c1 ZINC000185709715 943211492 /nfs/dbraw/zinc/21/14/92/943211492.db2.gz XUJFQIFPZIDTPV-MJGOQNOKSA-N 1 0 352.478 3.585 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CCC2CC2)C1 ZINC000435919038 943856038 /nfs/dbraw/zinc/85/60/38/943856038.db2.gz VHEBOKQDXMRSJY-UHFFFAOYSA-N 1 0 353.510 3.666 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@H](C)C2)C1 ZINC000436016621 943956058 /nfs/dbraw/zinc/95/60/58/943956058.db2.gz SFPGOONDCBUWKR-DLBZAZTESA-N 1 0 353.510 3.713 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418095891 944151097 /nfs/dbraw/zinc/15/10/97/944151097.db2.gz HJHBJLZLINRJNI-HKUYNNGSSA-N 1 0 368.525 3.550 20 10 FHCDRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000191558071 944196289 /nfs/dbraw/zinc/19/62/89/944196289.db2.gz ZYASMCDOGSXFSN-CYBMUJFWSA-N 1 0 374.506 3.798 20 10 FHCDRO C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc2c(cc1O)CCCC2 ZINC000756576953 944371116 /nfs/dbraw/zinc/37/11/16/944371116.db2.gz WNVVYFKWXLGGFT-OXJNMPFZSA-N 1 0 358.526 3.565 20 10 FHCDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000123566428 944373350 /nfs/dbraw/zinc/37/33/50/944373350.db2.gz FVMSNQNUEFEHPB-MGPUTAFESA-N 1 0 360.885 3.561 20 10 FHCDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000123661445 944399561 /nfs/dbraw/zinc/39/95/61/944399561.db2.gz JYIQHLZMXRSUFW-GFCCVEGCSA-N 1 0 351.903 3.792 20 10 FHCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)NC(=O)OC(C)(C)C ZINC000195140536 944812559 /nfs/dbraw/zinc/81/25/59/944812559.db2.gz WNTKORCFMQGXGR-QWRGUYRKSA-N 1 0 373.291 3.719 20 10 FHCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000293858449 944928627 /nfs/dbraw/zinc/92/86/27/944928627.db2.gz UKTFXUUIWRDSAF-INIZCTEOSA-N 1 0 358.457 3.836 20 10 FHCDRO CCN(CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)CC(F)(F)F ZINC001167984716 945044009 /nfs/dbraw/zinc/04/40/09/945044009.db2.gz WKWZIOSNJPGVMM-KRWDZBQOSA-N 1 0 374.447 3.648 20 10 FHCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000281277503 945579648 /nfs/dbraw/zinc/57/96/48/945579648.db2.gz XHIQIHNQLQUUME-FUHWJXTLSA-N 1 0 361.505 3.725 20 10 FHCDRO COc1ccsc1[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840757446 946138959 /nfs/dbraw/zinc/13/89/59/946138959.db2.gz AAWKZMIBYJSNPV-GFCCVEGCSA-N 1 0 368.449 3.722 20 10 FHCDRO CC1(C)CN(C(=O)c2ccccc2CC[NH3+])c2cc(Br)ccc21 ZINC000662882344 946256977 /nfs/dbraw/zinc/25/69/77/946256977.db2.gz CBFGIQHAXLDVPK-UHFFFAOYSA-N 1 0 373.294 3.888 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC3CCCC3)cc2F)CC1 ZINC000303342907 946556376 /nfs/dbraw/zinc/55/63/76/946556376.db2.gz WMZUJAAGRHMWNL-UHFFFAOYSA-N 1 0 361.505 3.554 20 10 FHCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000067506180 947003980 /nfs/dbraw/zinc/00/39/80/947003980.db2.gz ZSPRRSURESKHHV-SFHVURJKSA-N 1 0 354.494 3.643 20 10 FHCDRO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cc(Br)ccc1O ZINC000756788882 947052442 /nfs/dbraw/zinc/05/24/42/947052442.db2.gz FWBSVTQETVJPJW-QWHCGFSZSA-N 1 0 356.304 3.994 20 10 FHCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1 ZINC000897268162 947082043 /nfs/dbraw/zinc/08/20/43/947082043.db2.gz VELMSDSSZFBORO-FQEVSTJZSA-N 1 0 369.461 3.642 20 10 FHCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000104863073 947215221 /nfs/dbraw/zinc/21/52/21/947215221.db2.gz WVNBEHRFLCGGQW-UHFFFAOYSA-N 1 0 371.569 3.802 20 10 FHCDRO C[C@H](c1ccc(F)cc1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000053814377 947368061 /nfs/dbraw/zinc/36/80/61/947368061.db2.gz GFOCTIQHYORBSG-MRXNPFEDSA-N 1 0 357.473 3.543 20 10 FHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1O ZINC000278983590 948364151 /nfs/dbraw/zinc/36/41/51/948364151.db2.gz PEONLVWJGJTCFR-STQMWFEESA-N 1 0 364.287 3.573 20 10 FHCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000237219703 948563017 /nfs/dbraw/zinc/56/30/17/948563017.db2.gz HRUVBYJISMOPAE-JOCHJYFZSA-N 1 0 351.494 3.509 20 10 FHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821220473 607355906 /nfs/dbraw/zinc/35/59/06/607355906.db2.gz ASPZDUAHIJYHCC-HNNXBMFYSA-N 1 0 350.470 3.516 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000821198386 599395598 /nfs/dbraw/zinc/39/55/98/599395598.db2.gz SXRPGBAOQYMEJL-CQSZACIVSA-N 1 0 368.460 3.703 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820431983 599396141 /nfs/dbraw/zinc/39/61/41/599396141.db2.gz JSQQWBHQRMINGE-MRXNPFEDSA-N 1 0 362.481 3.708 20 10 FHCDRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(N2CCCCC2)cc1 ZINC000821611043 607387341 /nfs/dbraw/zinc/38/73/41/607387341.db2.gz OQBLYBRITFSHHJ-UHFFFAOYSA-N 1 0 368.510 3.551 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000823732359 606751776 /nfs/dbraw/zinc/75/17/76/606751776.db2.gz LOXUTYZHAZRFKK-UHFFFAOYSA-N 1 0 363.465 3.907 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC000823733388 607067166 /nfs/dbraw/zinc/06/71/66/607067166.db2.gz WGUGNJQWHSNILN-UHFFFAOYSA-N 1 0 367.428 3.656 20 10 FHCDRO CC[C@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(N(C)C)cc1 ZINC000825139095 609250101 /nfs/dbraw/zinc/25/01/01/609250101.db2.gz BOMJEUOHTULFMX-IBGZPJMESA-N 1 0 362.481 3.663 20 10 FHCDRO Cc1cccn2c(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)cnc12 ZINC000160191750 927215912 /nfs/dbraw/zinc/21/59/12/927215912.db2.gz HFSKDKDGAWMEMX-LJQANCHMSA-N 1 0 351.450 3.530 20 10 FHCDRO Cc1cc(C[NH+]2CCN(Cc3cscn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000748067717 927538423 /nfs/dbraw/zinc/53/84/23/927538423.db2.gz GBDBUYMNWNGZPS-UHFFFAOYSA-N 1 0 359.539 3.772 20 10 FHCDRO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)c(C)n1-c1cccc(Cl)c1 ZINC000728551093 937194573 /nfs/dbraw/zinc/19/45/73/937194573.db2.gz YTMFCFBPJPCCIC-UHFFFAOYSA-N 1 0 359.901 3.915 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(OC)ccc2OC)cc1 ZINC000246875314 927901169 /nfs/dbraw/zinc/90/11/69/927901169.db2.gz DSFHDHDPFSXQKB-MGPUTAFESA-N 1 0 358.482 3.544 20 10 FHCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000274759382 928018058 /nfs/dbraw/zinc/01/80/58/928018058.db2.gz JOROYRXUVZHMMX-CVEARBPZSA-N 1 0 360.523 3.958 20 10 FHCDRO O=C(/C=C\c1ccc(Cl)nc1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000254956641 928490392 /nfs/dbraw/zinc/49/03/92/928490392.db2.gz ZIENXNNFLBLUCX-PXAMLJHWSA-N 1 0 353.853 3.759 20 10 FHCDRO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000748084568 928804978 /nfs/dbraw/zinc/80/49/78/928804978.db2.gz RAFIIDDMHZRHFE-UHFFFAOYSA-N 1 0 356.510 3.542 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cn1 ZINC000274865456 928896704 /nfs/dbraw/zinc/89/67/04/928896704.db2.gz DPSLTXYGKIRGJX-ZDUSSCGKSA-N 1 0 363.864 3.686 20 10 FHCDRO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000125754570 937331535 /nfs/dbraw/zinc/33/15/35/937331535.db2.gz HMYRGVUIRMIMFZ-HXUWFJFHSA-N 1 0 360.523 3.538 20 10 FHCDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000275642136 929681586 /nfs/dbraw/zinc/68/15/86/929681586.db2.gz TVDPRBCCIQVOMR-FPOVZHCZSA-N 1 0 363.461 3.803 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000471531245 930193905 /nfs/dbraw/zinc/19/39/05/930193905.db2.gz LAPHDPWNOWCDDY-UHFFFAOYSA-N 1 0 364.493 3.548 20 10 FHCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccsc2Cl)[NH+](C)C)cc1 ZINC000891246410 930518672 /nfs/dbraw/zinc/51/86/72/930518672.db2.gz NKXCLYLSMWAODW-OAHLLOKOSA-N 1 0 351.903 3.500 20 10 FHCDRO Cn1cc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)c(C(F)(F)F)n1 ZINC000160466192 930542060 /nfs/dbraw/zinc/54/20/60/930542060.db2.gz SXSVHWOFXAXCSB-UHFFFAOYSA-N 1 0 353.388 3.655 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(F)c(F)c2)SC1=S ZINC000255199203 930609377 /nfs/dbraw/zinc/60/93/77/930609377.db2.gz AXGHOUPSTAGDSQ-RIYZIHGNSA-N 1 0 370.490 3.754 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000728301208 930911981 /nfs/dbraw/zinc/91/19/81/930911981.db2.gz LJOHPDIRQDEHLA-IBGZPJMESA-N 1 0 353.510 3.910 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cncc(-c4cccs4)n3)cc2)CC1 ZINC001167431022 931031295 /nfs/dbraw/zinc/03/12/95/931031295.db2.gz BNUMTVCGYUUFCQ-UHFFFAOYSA-N 1 0 365.506 3.569 20 10 FHCDRO COc1nccc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC001167431226 931041315 /nfs/dbraw/zinc/04/13/15/931041315.db2.gz NEQDBJDQRILGIO-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO CCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC000077313066 932449467 /nfs/dbraw/zinc/44/94/67/932449467.db2.gz OYTCTGRUZIWTAQ-UHFFFAOYSA-N 1 0 364.493 3.570 20 10 FHCDRO CCOC(CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O)OCC ZINC000276464745 932460944 /nfs/dbraw/zinc/46/09/44/932460944.db2.gz CTFAZWDYUBLSCL-LBPRGKRZSA-N 1 0 360.292 3.903 20 10 FHCDRO CCc1cc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000161001474 932534626 /nfs/dbraw/zinc/53/46/26/932534626.db2.gz ORWOWIXTDLQOCT-UHFFFAOYSA-N 1 0 355.544 3.507 20 10 FHCDRO COc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(O)c1OC ZINC000891546553 932727616 /nfs/dbraw/zinc/72/76/16/932727616.db2.gz VWYGREYRXPYXHD-UHFFFAOYSA-N 1 0 367.449 3.665 20 10 FHCDRO CC[C@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)ccc1O ZINC000156656771 934841757 /nfs/dbraw/zinc/84/17/57/934841757.db2.gz WRMDGBJJPRBEJS-INIZCTEOSA-N 1 0 372.303 3.781 20 10 FHCDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2O)s1 ZINC000892102654 935000999 /nfs/dbraw/zinc/00/09/99/935000999.db2.gz FKEGAUZCVHQMRB-LBPRGKRZSA-N 1 0 350.484 3.930 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000472218006 935539739 /nfs/dbraw/zinc/53/97/39/935539739.db2.gz ATOAGHXQRCFCDA-UHFFFAOYSA-N 1 0 358.530 3.747 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccn1 ZINC000158687856 935697185 /nfs/dbraw/zinc/69/71/85/935697185.db2.gz GULAQKNNLNHUGQ-CQSZACIVSA-N 1 0 365.399 3.788 20 10 FHCDRO CCCC[NH+]1CCC(NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1 ZINC000158590982 935858584 /nfs/dbraw/zinc/85/85/84/935858584.db2.gz FCIDROHHPWERPK-UHFFFAOYSA-N 1 0 360.546 3.549 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000472238633 935903850 /nfs/dbraw/zinc/90/38/50/935903850.db2.gz KESHYQTTXBZGHT-UHFFFAOYSA-N 1 0 356.514 3.598 20 10 FHCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1cnn(C)c1 ZINC000152953705 935917892 /nfs/dbraw/zinc/91/78/92/935917892.db2.gz XLRUNWALVPUGTM-ZDUSSCGKSA-N 1 0 368.403 3.638 20 10 FHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)[NH+]3CCCCC3)ccc21 ZINC000728517666 936026305 /nfs/dbraw/zinc/02/63/05/936026305.db2.gz UDPYVQWAPPWPKZ-INIZCTEOSA-N 1 0 371.525 3.509 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000894369129 945162424 /nfs/dbraw/zinc/16/24/24/945162424.db2.gz RMSQKCRQHKSBDP-HNNXBMFYSA-N 1 0 355.356 3.551 20 10 FHCDRO COc1c(O)c(C[N@H+](C)[C@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000278294317 938289112 /nfs/dbraw/zinc/28/91/12/938289112.db2.gz VBUOILBJZKMIGW-SNVBAGLBSA-N 1 0 351.428 3.575 20 10 FHCDRO COc1ccc(N2CCC[N@H+](Cc3nc4ccccc4nc3C)CC2)cc1 ZINC000052465298 938316315 /nfs/dbraw/zinc/31/63/15/938316315.db2.gz RYKVKCKNWFWOSI-UHFFFAOYSA-N 1 0 362.477 3.659 20 10 FHCDRO COc1ccc(CNc2ccc(CC[NH+]3CCCC3)cc2)c(O)c1OC ZINC000892345915 938323595 /nfs/dbraw/zinc/32/35/95/938323595.db2.gz AUDQMPXONXEHSU-UHFFFAOYSA-N 1 0 356.466 3.660 20 10 FHCDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(N2CCOCC2)c(F)c1 ZINC000130650671 938426266 /nfs/dbraw/zinc/42/62/66/938426266.db2.gz HTAHSINCUYVQPX-KUHUBIRLSA-N 1 0 356.441 3.706 20 10 FHCDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000728594969 938988109 /nfs/dbraw/zinc/98/81/09/938988109.db2.gz XKIQGISYTWZRBP-KRWDZBQOSA-N 1 0 368.525 3.681 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(F)cc2CSC)c(O)c1OC ZINC000892402612 938998101 /nfs/dbraw/zinc/99/81/01/938998101.db2.gz RNZHGCXQVJJVTH-UHFFFAOYSA-N 1 0 351.443 3.701 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccnn1-c1ccccc1 ZINC000281162038 939001705 /nfs/dbraw/zinc/00/17/05/939001705.db2.gz HGBLRKKBSRVUHZ-GOSISDBHSA-N 1 0 362.477 3.560 20 10 FHCDRO COc1ccc(C[NH2+]CCc2csc(-c3ccccc3)n2)c(O)c1OC ZINC000892458211 939202147 /nfs/dbraw/zinc/20/21/47/939202147.db2.gz VZEWCTBSQLOIIL-UHFFFAOYSA-N 1 0 370.474 3.865 20 10 FHCDRO Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnc(CN)s3)n2)cc1 ZINC001213184535 939949728 /nfs/dbraw/zinc/94/97/28/939949728.db2.gz TWDCPGZRWGWESE-UHFFFAOYSA-N 1 0 351.435 3.726 20 10 FHCDRO C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(N(C)C)cc1 ZINC000376061486 940256844 /nfs/dbraw/zinc/25/68/44/940256844.db2.gz IKYNSAKBYPDGCK-AWEZNQCLSA-N 1 0 374.916 3.690 20 10 FHCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000892620760 940998073 /nfs/dbraw/zinc/99/80/73/940998073.db2.gz CLNRAATVKXEPCO-ZIAGYGMSSA-N 1 0 361.461 3.588 20 10 FHCDRO CC(C)Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000892622477 940999830 /nfs/dbraw/zinc/99/98/30/940999830.db2.gz QHACWCNGUSEYDK-UHFFFAOYSA-N 1 0 357.473 3.546 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2Br)c(O)c1OC ZINC000892629148 941030177 /nfs/dbraw/zinc/03/01/77/941030177.db2.gz SAYWVKXCMZTLSP-UHFFFAOYSA-N 1 0 370.218 3.601 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311311752 941231997 /nfs/dbraw/zinc/23/19/97/941231997.db2.gz NDANCNCLQACJPT-LSDHHAIUSA-N 1 0 364.486 3.841 20 10 FHCDRO COc1ccc(N2CCC([NH2+]Cc3c(C)nn(C(C)C)c3C)CC2)cc1 ZINC000892811119 941578654 /nfs/dbraw/zinc/57/86/54/941578654.db2.gz CTNPHQURQHQCJM-UHFFFAOYSA-N 1 0 356.514 3.848 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-n2cncn2)cc1Cl ZINC000122457955 941751432 /nfs/dbraw/zinc/75/14/32/941751432.db2.gz PVBDOCJYZSYOKO-ZDUSSCGKSA-N 1 0 373.863 3.977 20 10 FHCDRO FC(F)(F)Cc1ncc(C[NH2+]CCCSc2nccs2)s1 ZINC000893043971 941930410 /nfs/dbraw/zinc/93/04/10/941930410.db2.gz CBELKNMDWRYYFI-UHFFFAOYSA-N 1 0 353.460 3.976 20 10 FHCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCCSc2nccs2)C1 ZINC000893044942 941931755 /nfs/dbraw/zinc/93/17/55/941931755.db2.gz LJEWFKLMGAFRKU-BETUJISGSA-N 1 0 357.545 3.518 20 10 FHCDRO COc1ccc(C[NH2+]C[C@@H](OC)c2cccc(Cl)c2)c(O)c1OC ZINC000893077146 941989452 /nfs/dbraw/zinc/98/94/52/941989452.db2.gz HVRFWBQDLCNTRK-MRXNPFEDSA-N 1 0 351.830 3.540 20 10 FHCDRO C[N@H+](Cc1cc(Cl)ccc1O)C1CCN(CCc2ccncc2)CC1 ZINC000377924173 942073461 /nfs/dbraw/zinc/07/34/61/942073461.db2.gz RQSCTSKRKOPYSG-UHFFFAOYSA-N 1 0 359.901 3.580 20 10 FHCDRO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(C)cc1O ZINC000280058385 942094165 /nfs/dbraw/zinc/09/41/65/942094165.db2.gz KEBOHLOQXGIRDU-MRXNPFEDSA-N 1 0 367.898 3.998 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CC)s2)cc1 ZINC000280210546 942130061 /nfs/dbraw/zinc/13/00/61/942130061.db2.gz UDTZUJUFMIKQAT-AWEZNQCLSA-N 1 0 366.552 3.849 20 10 FHCDRO C[C@@H](c1ccccc1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1O ZINC000179649007 942264128 /nfs/dbraw/zinc/26/41/28/942264128.db2.gz SWHXBVRBGIXEQK-INIZCTEOSA-N 1 0 366.421 3.760 20 10 FHCDRO COc1cc(O)c(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1OC ZINC000180521037 942378140 /nfs/dbraw/zinc/37/81/40/942378140.db2.gz ILDDRXFGCQBIQC-LJQANCHMSA-N 1 0 371.477 3.671 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c(O)c1OC ZINC000893222825 942707298 /nfs/dbraw/zinc/70/72/98/942707298.db2.gz VXCDATRUMDWECR-CRAIPNDOSA-N 1 0 357.450 3.667 20 10 FHCDRO COc1ccc(CNc2cccc(CC[NH+]3CCCC3)c2)c(O)c1OC ZINC000893228836 942731248 /nfs/dbraw/zinc/73/12/48/942731248.db2.gz FIUASKRIBPKJLV-UHFFFAOYSA-N 1 0 356.466 3.660 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000182471240 942744210 /nfs/dbraw/zinc/74/42/10/942744210.db2.gz AWYUFRSGCHZGEE-OAHLLOKOSA-N 1 0 363.461 3.926 20 10 FHCDRO Oc1ccc(F)cc1C[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000378488364 942815664 /nfs/dbraw/zinc/81/56/64/942815664.db2.gz ALMHAUJOMVYJLM-KRWDZBQOSA-N 1 0 370.472 3.619 20 10 FHCDRO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(Br)cc1O ZINC000363868900 942901362 /nfs/dbraw/zinc/90/13/62/942901362.db2.gz SNJDUFGNHUSPOL-GFCCVEGCSA-N 1 0 373.254 3.586 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c(O)c1C ZINC000273423405 942954184 /nfs/dbraw/zinc/95/41/84/942954184.db2.gz SQUMDLXSUUAMEO-KRWDZBQOSA-N 1 0 352.478 3.982 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(O)c1C ZINC000273460555 942962024 /nfs/dbraw/zinc/96/20/24/942962024.db2.gz ICHPSUPAGKFCCF-KRWDZBQOSA-N 1 0 352.478 3.982 20 10 FHCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273495924 942970550 /nfs/dbraw/zinc/97/05/50/942970550.db2.gz OJZDKKVNXWGSPM-SJLPKXTDSA-N 1 0 359.397 3.612 20 10 FHCDRO Cc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c(O)c1 ZINC000273545345 942982070 /nfs/dbraw/zinc/98/20/70/942982070.db2.gz ZEJODDLRDACEKO-MRXNPFEDSA-N 1 0 354.498 3.799 20 10 FHCDRO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc2ccccc2c1O ZINC000273558453 942985084 /nfs/dbraw/zinc/98/50/84/942985084.db2.gz HKMRTDSTXCVCTK-QGZVFWFLSA-N 1 0 354.494 3.841 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)c2)c(O)c1C ZINC000273611414 942996187 /nfs/dbraw/zinc/99/61/87/942996187.db2.gz VZVOERATXHRWOZ-INIZCTEOSA-N 1 0 356.466 3.813 20 10 FHCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1O ZINC000185130589 943104467 /nfs/dbraw/zinc/10/44/67/943104467.db2.gz ORQPHALPYLXSEJ-RISCZKNCSA-N 1 0 373.346 3.641 20 10 FHCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185487217 943174633 /nfs/dbraw/zinc/17/46/33/943174633.db2.gz XRUQDKOMTQATSS-FPTDNZKUSA-N 1 0 371.477 3.672 20 10 FHCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2O)c1 ZINC000185487130 943175093 /nfs/dbraw/zinc/17/50/93/943175093.db2.gz FPVJLOXIXIEYEW-LHSJRXKWSA-N 1 0 367.445 3.947 20 10 FHCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000185629667 943196995 /nfs/dbraw/zinc/19/69/95/943196995.db2.gz QIQBTZYCTICSBV-SFHVURJKSA-N 1 0 366.505 3.833 20 10 FHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000272979030 943253807 /nfs/dbraw/zinc/25/38/07/943253807.db2.gz QECJKUKUMNRUKL-JNDILOIQSA-N 1 0 365.882 3.836 20 10 FHCDRO CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(Br)ccc1O ZINC000775509786 943440177 /nfs/dbraw/zinc/44/01/77/943440177.db2.gz QMWWFCSYMLXZBK-ZDUSSCGKSA-N 1 0 358.276 3.927 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC=CCC2)C1 ZINC000435533809 943471301 /nfs/dbraw/zinc/47/13/01/943471301.db2.gz XIONHGNENDMVGP-GOSISDBHSA-N 1 0 365.521 3.880 20 10 FHCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000364151884 943706695 /nfs/dbraw/zinc/70/66/95/943706695.db2.gz WDENBEMZKFBIEN-USCONSEESA-N 1 0 358.526 3.504 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)[C@@H]2C)C1 ZINC000435805330 943781887 /nfs/dbraw/zinc/78/18/87/943781887.db2.gz AHVUQEPKNODIAU-SJORKVTESA-N 1 0 353.510 3.665 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC000760020323 944032413 /nfs/dbraw/zinc/03/24/13/944032413.db2.gz VCNRUPZTOIELIG-FUHWJXTLSA-N 1 0 372.534 3.669 20 10 FHCDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000728783005 944124694 /nfs/dbraw/zinc/12/46/94/944124694.db2.gz WQTFOINFTCNHLR-ZDUSSCGKSA-N 1 0 361.463 3.648 20 10 FHCDRO COc1ccccc1-c1noc([C@@H](C)NCc2cc(Cl)ccc2O)n1 ZINC000364310458 944284379 /nfs/dbraw/zinc/28/43/79/944284379.db2.gz UPPUPMBMBPMZCZ-LLVKDONJSA-N 1 0 359.813 3.955 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c(O)c1C ZINC000756584559 944456748 /nfs/dbraw/zinc/45/67/48/944456748.db2.gz GPVYFPNAEIOAJF-GFCCVEGCSA-N 1 0 354.376 3.581 20 10 FHCDRO CCCN(Cc1cc(OC)c(OCC)c(OC)c1)c1ccc(C[NH3+])cc1 ZINC000194980277 944775396 /nfs/dbraw/zinc/77/53/96/944775396.db2.gz BJKWHIIQAGAXIY-UHFFFAOYSA-N 1 0 358.482 3.978 20 10 FHCDRO C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000759895345 944777970 /nfs/dbraw/zinc/77/79/70/944777970.db2.gz RLIUFGXKNXKRCF-FQEVSTJZSA-N 1 0 352.438 3.887 20 10 FHCDRO O[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839041240 945585219 /nfs/dbraw/zinc/58/52/19/945585219.db2.gz FFDBEVSROYALSW-ZBFHGGJFSA-N 1 0 367.331 3.690 20 10 FHCDRO c1cncc([C@@H]2CCC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000800223715 945805257 /nfs/dbraw/zinc/80/52/57/945805257.db2.gz CHDKSZHYZMUFNE-CTNGQTDRSA-N 1 0 351.494 3.734 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(Cl)cc3F)cc2F)CC1 ZINC000301559411 945847303 /nfs/dbraw/zinc/84/73/03/945847303.db2.gz UELXJKKPCMTHED-UHFFFAOYSA-N 1 0 366.843 3.767 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c1O ZINC000894531810 945934914 /nfs/dbraw/zinc/93/49/14/945934914.db2.gz DOFZRRGGOBKMFS-UHFFFAOYSA-N 1 0 372.856 3.542 20 10 FHCDRO O=[N+]([O-])c1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000301946320 946049855 /nfs/dbraw/zinc/04/98/55/946049855.db2.gz ZZWYKUOHVSHWDB-UHFFFAOYSA-N 1 0 366.465 3.739 20 10 FHCDRO C[C@H]([NH2+]CCSC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000178420151 946104807 /nfs/dbraw/zinc/10/48/07/946104807.db2.gz BYHBCKSSYAPNDD-NSHDSACASA-N 1 0 352.397 3.566 20 10 FHCDRO CCc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000108927582 946158680 /nfs/dbraw/zinc/15/86/80/946158680.db2.gz SGUZKHOVKRJAPG-SFHVURJKSA-N 1 0 372.553 3.990 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC23CCCC3)C1 ZINC000444400989 946459067 /nfs/dbraw/zinc/45/90/67/946459067.db2.gz FIFCYNAVJMIBRV-OAQYLSRUSA-N 1 0 365.521 3.857 20 10 FHCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000178459359 946830616 /nfs/dbraw/zinc/83/06/16/946830616.db2.gz OBDIYRWPJFIETG-IERDGZPVSA-N 1 0 358.457 3.701 20 10 FHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3csc(C(F)(F)F)n3)C2)cc1 ZINC000895006575 946832993 /nfs/dbraw/zinc/83/29/93/946832993.db2.gz RSUWIPGIZLVXKU-LBPRGKRZSA-N 1 0 371.428 3.787 20 10 FHCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccccc1O ZINC000760032543 946945966 /nfs/dbraw/zinc/94/59/66/946945966.db2.gz GSOGUTGRJCLMIJ-UONOGXRCSA-N 1 0 364.283 3.657 20 10 FHCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](C)CC(F)(F)F)c1O ZINC000840964881 947083532 /nfs/dbraw/zinc/08/35/32/947083532.db2.gz WXBIYXRZKLZOPG-QMMMGPOBSA-N 1 0 356.182 3.841 20 10 FHCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCc3c1cccc3Br)OCO2 ZINC000105491792 948044782 /nfs/dbraw/zinc/04/47/82/948044782.db2.gz LWIZFFPYFPPFKZ-CQSZACIVSA-N 1 0 362.223 3.661 20 10 FHCDRO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000167002088 948376054 /nfs/dbraw/zinc/37/60/54/948376054.db2.gz SKFCSRVBCMAYLF-CQSZACIVSA-N 1 0 361.461 3.626 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc([C@H]3C[C@H]3C)no2)C1 ZINC000520655985 948511205 /nfs/dbraw/zinc/51/12/05/948511205.db2.gz CWDVEVQIUUSHCQ-ZBFHGGJFSA-N 1 0 350.466 3.963 20 10 FHCDRO Cc1ccc2c(CC[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)c[nH]c2c1 ZINC000066991647 948579806 /nfs/dbraw/zinc/57/98/06/948579806.db2.gz FXAWQGOLUIKHOM-UHFFFAOYSA-N 1 0 367.468 3.784 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)c(O)c1OC ZINC000895117203 948742281 /nfs/dbraw/zinc/74/22/81/948742281.db2.gz PJFYMDNYVCOYEB-NRFANRHFSA-N 1 0 369.461 3.569 20 10 FHCDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000359971051 132375877 /nfs/dbraw/zinc/37/58/77/132375877.db2.gz AYDVJGWVRWJYFN-FCHUYYIVSA-N 1 0 355.526 3.652 20 10 FHCDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000275530718 523563390 /nfs/dbraw/zinc/56/33/90/523563390.db2.gz LXIFOCXDKOIXEH-PMACEKPBSA-N 1 0 354.498 3.513 20 10 FHCDRO COc1c(O)c(C[NH2+][C@H](c2ccccn2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000365386406 568602072 /nfs/dbraw/zinc/60/20/72/568602072.db2.gz QUWVJKNVWWBNHZ-KRWDZBQOSA-N 1 0 357.410 3.725 20 10 FHCDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000328646977 571325999 /nfs/dbraw/zinc/32/59/99/571325999.db2.gz SZMNPRZLNBQWCB-FCHUYYIVSA-N 1 0 368.525 3.903 20 10 FHCDRO O=C([O-])c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000740095571 601093033 /nfs/dbraw/zinc/09/30/33/601093033.db2.gz BSMGYCYKFRSZGQ-INIZCTEOSA-N 1 0 368.477 3.551 20 10 FHCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000820921522 607086959 /nfs/dbraw/zinc/08/69/59/607086959.db2.gz ZBRBZHYTHXZLRE-AUUYWEPGSA-N 1 0 350.470 3.735 20 10 FHCDRO CC[N@H+](Cc1c(O)cccc1Cl)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429183 608549996 /nfs/dbraw/zinc/54/99/96/608549996.db2.gz XZHYQWQAKUZQRZ-LBPRGKRZSA-N 1 0 357.845 3.809 20 10 FHCDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000122065671 937135988 /nfs/dbraw/zinc/13/59/88/937135988.db2.gz IZSYMKFNYWZRPQ-AWEZNQCLSA-N 1 0 359.857 3.600 20 10 FHCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000274759384 928019164 /nfs/dbraw/zinc/01/91/64/928019164.db2.gz JOROYRXUVZHMMX-HZPDHXFCSA-N 1 0 360.523 3.958 20 10 FHCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(OC(F)(F)F)c1 ZINC000175753136 928302848 /nfs/dbraw/zinc/30/28/48/928302848.db2.gz FDPBRKAHBDSEGT-SNVBAGLBSA-N 1 0 355.312 3.870 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000471177085 928575661 /nfs/dbraw/zinc/57/56/61/928575661.db2.gz OGSWTDIUXFGPAG-UHFFFAOYSA-N 1 0 350.466 3.870 20 10 FHCDRO COc1ccc(N2CCC([NH2+]C[C@@H](c3cccs3)N(C)C)CC2)cc1 ZINC000155068135 937282761 /nfs/dbraw/zinc/28/27/61/937282761.db2.gz RJEYKSYXXJHTIU-IBGZPJMESA-N 1 0 359.539 3.618 20 10 FHCDRO CC[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1O ZINC000274963019 929079499 /nfs/dbraw/zinc/07/94/99/929079499.db2.gz WZZIZSFSCQNZQG-ZDUSSCGKSA-N 1 0 350.344 3.695 20 10 FHCDRO CC[C@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1ccccc1O ZINC000154968715 929589558 /nfs/dbraw/zinc/58/95/58/929589558.db2.gz KWKMGZMUNKIPSM-HOTGVXAUSA-N 1 0 356.495 3.970 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000471478231 929899080 /nfs/dbraw/zinc/89/90/80/929899080.db2.gz YMHNKEROWGCTFT-OAQYLSRUSA-N 1 0 364.493 3.589 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccc(N2CCC(O)CC2)cc1 ZINC000155924869 937374794 /nfs/dbraw/zinc/37/47/94/937374794.db2.gz XDDDYRFUPMDATR-HSQYWUDLSA-N 1 0 368.525 3.679 20 10 FHCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccsc2C(F)F)[NH+](C)C)cc1 ZINC000891243698 930503347 /nfs/dbraw/zinc/50/33/47/930503347.db2.gz TWESMOFCQLRXQT-OAHLLOKOSA-N 1 0 367.465 3.784 20 10 FHCDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)C1 ZINC000588405960 931793881 /nfs/dbraw/zinc/79/38/81/931793881.db2.gz NKUCGIMDHVAUCM-UBAGTECSSA-N 1 0 366.461 3.982 20 10 FHCDRO O=C(C1CC1)N1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000276163485 931945762 /nfs/dbraw/zinc/94/57/62/931945762.db2.gz GELHQSRDDFNLIQ-UHFFFAOYSA-N 1 0 350.462 3.504 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc4cnccc34)SC2=S)CC1 ZINC000588423526 932465008 /nfs/dbraw/zinc/46/50/08/932465008.db2.gz UTYSKURVGHUBTF-BOPFTXTBSA-N 1 0 369.515 3.530 20 10 FHCDRO C[N@H+](Cc1ccc(Br)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000754859774 933121698 /nfs/dbraw/zinc/12/16/98/933121698.db2.gz YOWDYVHOOXGGTA-UHFFFAOYSA-N 1 0 368.202 3.655 20 10 FHCDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000090411750 933650869 /nfs/dbraw/zinc/65/08/69/933650869.db2.gz KDAUFQDOQKQCLU-HKUYNNGSSA-N 1 0 358.530 3.521 20 10 FHCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000092709028 934055127 /nfs/dbraw/zinc/05/51/27/934055127.db2.gz GOPVKQXAKAUPLX-MRXNPFEDSA-N 1 0 371.456 3.873 20 10 FHCDRO COc1ccc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(O)c1OC ZINC000892101968 934999408 /nfs/dbraw/zinc/99/94/08/934999408.db2.gz PMJUCFZKNFKQOG-UGSOOPFHSA-N 1 0 361.413 3.511 20 10 FHCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000053774026 945084520 /nfs/dbraw/zinc/08/45/20/945084520.db2.gz MVZKJXQQTRONLQ-INIZCTEOSA-N 1 0 355.438 3.877 20 10 FHCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(O)c1OC ZINC000892216293 935378345 /nfs/dbraw/zinc/37/83/45/935378345.db2.gz IBPYVGDSVNHOAZ-CABCVRRESA-N 1 0 363.479 3.559 20 10 FHCDRO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c(C)n1-c1ccccn1 ZINC000152676749 935809559 /nfs/dbraw/zinc/80/95/59/935809559.db2.gz RUKCIERAQFUEAC-MRXNPFEDSA-N 1 0 366.509 3.578 20 10 FHCDRO c1ncn(Cc2ccccc2C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000075772766 936019651 /nfs/dbraw/zinc/01/96/51/936019651.db2.gz SDSAAVDFJKERQR-UHFFFAOYSA-N 1 0 361.493 3.607 20 10 FHCDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000278294614 938289938 /nfs/dbraw/zinc/28/99/38/938289938.db2.gz BZIFEQFTHRIGFQ-ZIAGYGMSSA-N 1 0 361.436 3.572 20 10 FHCDRO CCn1cc([C@H](C)[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000157729701 938420159 /nfs/dbraw/zinc/42/01/59/938420159.db2.gz MIJLCPTXHDDMNL-AWEZNQCLSA-N 1 0 364.440 3.824 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000278446378 938437854 /nfs/dbraw/zinc/43/78/54/938437854.db2.gz KZQCYBGGBUFGAD-INIZCTEOSA-N 1 0 369.484 3.787 20 10 FHCDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(C)cc(OC)c3O)ccc2NC1=O ZINC000894394542 945201391 /nfs/dbraw/zinc/20/13/91/945201391.db2.gz WURUDUDUJCEEEB-CXAGYDPISA-N 1 0 370.449 3.670 20 10 FHCDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000728594970 938988112 /nfs/dbraw/zinc/98/81/12/938988112.db2.gz XKIQGISYTWZRBP-QGZVFWFLSA-N 1 0 368.525 3.681 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(Br)c(C)c2)c(O)c1OC ZINC000894843972 945268249 /nfs/dbraw/zinc/26/82/49/945268249.db2.gz SCXBDQOQMLLEIB-UHFFFAOYSA-N 1 0 366.255 3.770 20 10 FHCDRO CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC(C(=O)NC)CC2)cc1 ZINC000179821685 939961623 /nfs/dbraw/zinc/96/16/23/939961623.db2.gz XYHYVJMANWLHAE-UHFFFAOYSA-N 1 0 365.521 3.671 20 10 FHCDRO O=C1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2cc(F)ccc2N1 ZINC000376068441 940267981 /nfs/dbraw/zinc/26/79/81/940267981.db2.gz OFZIPOTTZUDUIL-IBGZPJMESA-N 1 0 353.441 3.989 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cc(F)ccc1O ZINC000310647623 940284020 /nfs/dbraw/zinc/28/40/20/940284020.db2.gz DUAPZPROXYECBF-VNHYZAJKSA-N 1 0 352.450 3.970 20 10 FHCDRO Cc1nc(CN2CCC[C@H]([NH2+][C@H](C)c3ccc4ccccc4c3O)C2)no1 ZINC000376304413 940736593 /nfs/dbraw/zinc/73/65/93/940736593.db2.gz FJBNRQUTQNTVJK-PBHICJAKSA-N 1 0 366.465 3.552 20 10 FHCDRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166218589 941226074 /nfs/dbraw/zinc/22/60/74/941226074.db2.gz VTKSYKUEODOFKN-CQSZACIVSA-N 1 0 361.461 3.551 20 10 FHCDRO CN1CCCc2cc(C[NH2+]Cc3cnc(CC(F)(F)F)s3)ccc21 ZINC000892734379 941492528 /nfs/dbraw/zinc/49/25/28/941492528.db2.gz YSHRYYNBHGAHOO-UHFFFAOYSA-N 1 0 355.429 3.920 20 10 FHCDRO Cc1ccc([C@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280627536 942217161 /nfs/dbraw/zinc/21/71/61/942217161.db2.gz GNSQIIREFQPFQD-OXQOHEQNSA-N 1 0 361.507 3.581 20 10 FHCDRO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386863 942528184 /nfs/dbraw/zinc/52/81/84/942528184.db2.gz OZIWRIURDZWAPE-QGZVFWFLSA-N 1 0 371.550 3.875 20 10 FHCDRO COc1ccc(C[NH2+]CCCc2nnc(SC)n2CC(C)C)cc1C ZINC000237135419 942573852 /nfs/dbraw/zinc/57/38/52/942573852.db2.gz XZSDNMAAYXTQNF-UHFFFAOYSA-N 1 0 362.543 3.695 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)cc1 ZINC000363824859 942772649 /nfs/dbraw/zinc/77/26/49/942772649.db2.gz MKEJSWXEJOSTNP-UWJYYQICSA-N 1 0 368.525 3.594 20 10 FHCDRO COc1ccc([C@H]([NH2+]Cc2cc(OC)ccc2O)C2CCOCC2)cc1 ZINC000378456537 942782931 /nfs/dbraw/zinc/78/29/31/942782931.db2.gz OSJZTAWHHDAGNT-NRFANRHFSA-N 1 0 357.450 3.667 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cc(Br)ccc1O ZINC000363850495 942844047 /nfs/dbraw/zinc/84/40/47/942844047.db2.gz HOBFKFSZVHQWAM-GFCCVEGCSA-N 1 0 373.254 3.586 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)c1 ZINC000363855276 942859466 /nfs/dbraw/zinc/85/94/66/942859466.db2.gz NJOKFLOZLIJTOO-AEFFLSMTSA-N 1 0 362.477 3.549 20 10 FHCDRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)[C@@H](C)C2)s1 ZINC000363858838 942866331 /nfs/dbraw/zinc/86/63/31/942866331.db2.gz RGAVZVMJQUWWEY-LXIYXOSZSA-N 1 0 363.502 3.857 20 10 FHCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1ccc2ccccc2c1O ZINC000363866643 942892498 /nfs/dbraw/zinc/89/24/98/942892498.db2.gz OXZGXQSZPIOOAJ-CRAIPNDOSA-N 1 0 361.445 3.506 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000273306051 942928844 /nfs/dbraw/zinc/92/88/44/942928844.db2.gz CVJCCZULDSISLV-STQMWFEESA-N 1 0 361.438 3.838 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(Br)cc1O ZINC000273388045 942946252 /nfs/dbraw/zinc/94/62/52/942946252.db2.gz KBWXXCYPTQQSOM-IINYFYTJSA-N 1 0 350.260 3.616 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c(O)c1C ZINC000273409010 942950453 /nfs/dbraw/zinc/95/04/53/942950453.db2.gz PEAABJWSFBAKGM-OXJNMPFZSA-N 1 0 368.477 3.977 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(O)c1C ZINC000273432208 942955624 /nfs/dbraw/zinc/95/56/24/942955624.db2.gz VZCKNCSMQGQBRC-INIZCTEOSA-N 1 0 372.484 3.960 20 10 FHCDRO CCOCCOCc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000273429317 942955731 /nfs/dbraw/zinc/95/57/31/942955731.db2.gz VFTFLXWQRWCWPS-INIZCTEOSA-N 1 0 359.466 3.805 20 10 FHCDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(Br)cc1O ZINC000273445444 942958522 /nfs/dbraw/zinc/95/85/22/942958522.db2.gz DZRJYZZNSYVVIW-BMIGLBTASA-N 1 0 354.219 3.678 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1C ZINC000273489296 942968705 /nfs/dbraw/zinc/96/87/05/942968705.db2.gz NWEUOTZZLRYLBS-HKUYNNGSSA-N 1 0 352.478 3.708 20 10 FHCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273495917 942970771 /nfs/dbraw/zinc/97/07/71/942970771.db2.gz OJZDKKVNXWGSPM-AEFFLSMTSA-N 1 0 359.397 3.612 20 10 FHCDRO C[C@@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1cc(F)ccc1O ZINC000760017468 943020172 /nfs/dbraw/zinc/02/01/72/943020172.db2.gz MNBPZHWEMJKEFD-QAPCUYQASA-N 1 0 360.498 3.800 20 10 FHCDRO COCCn1ncc2c1[C@@H]([NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363909054 943029500 /nfs/dbraw/zinc/02/95/00/943029500.db2.gz MTWMQCYUOQWJME-YWZLYKJASA-N 1 0 369.509 3.842 20 10 FHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000273760116 943031902 /nfs/dbraw/zinc/03/19/02/943031902.db2.gz OUIWHSQXPVXFFB-LBPRGKRZSA-N 1 0 363.845 3.694 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c(O)c1 ZINC000760017135 943089233 /nfs/dbraw/zinc/08/92/33/943089233.db2.gz LBPNAVFSUBEKTA-MJGOQNOKSA-N 1 0 356.535 3.969 20 10 FHCDRO CC[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000236851076 943395638 /nfs/dbraw/zinc/39/56/38/943395638.db2.gz QSOBFIGSURBIKO-UHFFFAOYSA-N 1 0 353.510 3.864 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCCCC2)C1 ZINC000435668343 943549528 /nfs/dbraw/zinc/54/95/28/943549528.db2.gz XPYUUPMEWFOVRG-UHFFFAOYSA-N 1 0 353.510 3.810 20 10 FHCDRO CCc1cccc(C[NH2+][C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1O ZINC000711711932 943996781 /nfs/dbraw/zinc/99/67/81/943996781.db2.gz DLXCTVIDTZJTAP-LAUBAEHRSA-N 1 0 360.498 3.976 20 10 FHCDRO Cc1cc(Br)c(O)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000781902275 944010740 /nfs/dbraw/zinc/01/07/40/944010740.db2.gz PRIRDTSPUYDJRA-OAHLLOKOSA-N 1 0 353.304 3.523 20 10 FHCDRO COC(=O)c1c(C[NH2+]C[C@@H](C)c2c(C)noc2C)c2cc(F)ccc2n1C ZINC000894354306 944573636 /nfs/dbraw/zinc/57/36/36/944573636.db2.gz KZVFTKWPGMNJHO-LLVKDONJSA-N 1 0 373.428 3.602 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000194016864 944592715 /nfs/dbraw/zinc/59/27/15/944592715.db2.gz BJDUKLHHVODKFD-NJDAHSKKSA-N 1 0 356.510 3.601 20 10 FHCDRO Fc1cc(C[NH2+][C@H](c2cccnc2)C2CCC2)ccc1N1CCOCC1 ZINC000280791646 945505572 /nfs/dbraw/zinc/50/55/72/945505572.db2.gz HMPBHAMNOCBJIX-NRFANRHFSA-N 1 0 355.457 3.688 20 10 FHCDRO COc1cc(C)cc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1O ZINC000894446092 945654524 /nfs/dbraw/zinc/65/45/24/945654524.db2.gz YGPUHFHPBYXDEH-UHFFFAOYSA-N 1 0 371.412 3.621 20 10 FHCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000840719907 945808460 /nfs/dbraw/zinc/80/84/60/945808460.db2.gz WYMFOJDNPOBHRR-LEWJYISDSA-N 1 0 374.569 3.967 20 10 FHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)c(C)c1OC ZINC000894516020 945869055 /nfs/dbraw/zinc/86/90/55/945869055.db2.gz XVNKHAXKRJBSKW-ZDUSSCGKSA-N 1 0 361.438 3.586 20 10 FHCDRO CC1=CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000444327647 946563233 /nfs/dbraw/zinc/56/32/33/946563233.db2.gz GCSCHMAPULBAJY-UHFFFAOYSA-N 1 0 351.494 3.586 20 10 FHCDRO c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000093704341 946967780 /nfs/dbraw/zinc/96/77/80/946967780.db2.gz BLHLSECHWOKEAM-OAQYLSRUSA-N 1 0 351.494 3.600 20 10 FHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301260940 947256525 /nfs/dbraw/zinc/25/65/25/947256525.db2.gz VDUUZNRFSNUSDA-INIZCTEOSA-N 1 0 358.873 3.790 20 10 FHCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCC1 ZINC000759968535 948318809 /nfs/dbraw/zinc/31/88/09/948318809.db2.gz GMGHKQRNEABJQA-YESZJQIVSA-N 1 0 364.505 3.877 20 10 FHCDRO Cc1cc(C(=O)CN2CCC[C@@H]([NH+](C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000759973647 948683574 /nfs/dbraw/zinc/68/35/74/948683574.db2.gz AEZJWMQJEOEXKX-LJQANCHMSA-N 1 0 371.500 3.832 20 10 FHCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736473178 598465255 /nfs/dbraw/zinc/46/52/55/598465255.db2.gz JJFIPDWOSIIZBH-UHFFFAOYSA-N 1 0 364.497 3.783 20 10 FHCDRO O=C([O-])c1cc2ccccc2c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000740095573 601093308 /nfs/dbraw/zinc/09/33/08/601093308.db2.gz BSMGYCYKFRSZGQ-MRXNPFEDSA-N 1 0 368.477 3.551 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCCC1 ZINC000823733345 606973385 /nfs/dbraw/zinc/97/33/85/606973385.db2.gz USYAZAUVNSSFAR-UHFFFAOYSA-N 1 0 367.428 3.656 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821164302 607012476 /nfs/dbraw/zinc/01/24/76/607012476.db2.gz BBVYUCISODBPQO-HUUCEWRRSA-N 1 0 350.470 3.735 20 10 FHCDRO CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000820921524 607086808 /nfs/dbraw/zinc/08/68/08/607086808.db2.gz ZBRBZHYTHXZLRE-KUHUBIRLSA-N 1 0 350.470 3.735 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1cccc2c1OCCCO2)C[C@H]1CCCO1 ZINC000160169093 927072479 /nfs/dbraw/zinc/07/24/79/927072479.db2.gz NXDHLJICIYVROL-LJQANCHMSA-N 1 0 369.461 3.735 20 10 FHCDRO CCOc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1O ZINC000160184083 927154753 /nfs/dbraw/zinc/15/47/53/927154753.db2.gz ABPYVLQWSFTXEZ-GOSISDBHSA-N 1 0 357.450 3.678 20 10 FHCDRO CCOc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC ZINC000160184366 927155273 /nfs/dbraw/zinc/15/52/73/927155273.db2.gz JVOPDIDBYMZDTJ-LJQANCHMSA-N 1 0 371.477 3.981 20 10 FHCDRO Cc1ccc2ncc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)n2c1 ZINC000160209707 927285832 /nfs/dbraw/zinc/28/58/32/927285832.db2.gz BJWJDHBLOZFKSL-LJQANCHMSA-N 1 0 351.450 3.530 20 10 FHCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000274656017 927370273 /nfs/dbraw/zinc/37/02/73/927370273.db2.gz VVINRDJJQNHEGC-ZACQAIPSSA-N 1 0 357.473 3.994 20 10 FHCDRO COc1c(O)c(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000278168594 937293870 /nfs/dbraw/zinc/29/38/70/937293870.db2.gz FPNQOTCBVCQBQH-CQSZACIVSA-N 1 0 363.439 3.583 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125700156 937327504 /nfs/dbraw/zinc/32/75/04/937327504.db2.gz UFLCATNWZLDZIP-INIZCTEOSA-N 1 0 360.523 3.538 20 10 FHCDRO CC[C@@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1ccccc1O ZINC000154968793 929590201 /nfs/dbraw/zinc/59/02/01/929590201.db2.gz KWKMGZMUNKIPSM-CVEARBPZSA-N 1 0 356.495 3.970 20 10 FHCDRO CC[C@@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccccc1O ZINC000154968950 929590388 /nfs/dbraw/zinc/59/03/88/929590388.db2.gz KWKMGZMUNKIPSM-HZPDHXFCSA-N 1 0 356.495 3.970 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3cn(CCOC)nc32)cc1 ZINC000374712889 929892055 /nfs/dbraw/zinc/89/20/55/929892055.db2.gz DPAVHSLHMGGNOS-FQEVSTJZSA-N 1 0 356.514 3.543 20 10 FHCDRO Cc1cscc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260489 930817915 /nfs/dbraw/zinc/81/79/15/930817915.db2.gz VDTZIJSVSBSHIW-HNNXBMFYSA-N 1 0 364.898 3.810 20 10 FHCDRO Cc1cc(-c2ccccc2)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167426539 930949457 /nfs/dbraw/zinc/94/94/57/930949457.db2.gz IRRQVSYLKHEAEC-UHFFFAOYSA-N 1 0 373.504 3.816 20 10 FHCDRO CCCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(CCC)n1 ZINC001167430995 931030919 /nfs/dbraw/zinc/03/09/19/931030919.db2.gz AQCGFOBQWYPSMQ-UHFFFAOYSA-N 1 0 367.541 3.746 20 10 FHCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000706872072 931799960 /nfs/dbraw/zinc/79/99/60/931799960.db2.gz XLXGAQUSYBGMMS-OAHLLOKOSA-N 1 0 361.283 3.519 20 10 FHCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC001167454893 931854592 /nfs/dbraw/zinc/85/45/92/931854592.db2.gz DUFCKVBLKZNXLH-UHFFFAOYSA-N 1 0 351.494 3.713 20 10 FHCDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407465 931917591 /nfs/dbraw/zinc/91/75/91/931917591.db2.gz RUMNLRNMCVQDMA-NTMALXAHSA-N 1 0 374.506 3.543 20 10 FHCDRO CCS(=O)(=O)CCCCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000276491407 932483808 /nfs/dbraw/zinc/48/38/08/932483808.db2.gz QXPVRKYIWHTDCD-UHFFFAOYSA-N 1 0 354.560 3.568 20 10 FHCDRO CCOCc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC ZINC000051187873 932562874 /nfs/dbraw/zinc/56/28/74/932562874.db2.gz JXEQFAKTSMKHMU-OAHLLOKOSA-N 1 0 368.477 3.967 20 10 FHCDRO COc1ccc(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)c(O)c1OC ZINC000891848944 933582545 /nfs/dbraw/zinc/58/25/45/933582545.db2.gz ACHQFRQOBRWQQH-UHFFFAOYSA-N 1 0 363.479 3.772 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000277154244 934637217 /nfs/dbraw/zinc/63/72/17/934637217.db2.gz QMJHZQYSRKDJDA-CYBMUJFWSA-N 1 0 366.914 3.660 20 10 FHCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000051473620 935344580 /nfs/dbraw/zinc/34/45/80/935344580.db2.gz IBYCRKSFWVJMMO-FQEVSTJZSA-N 1 0 360.885 3.594 20 10 FHCDRO CC[NH+](CC)CC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472234566 935873208 /nfs/dbraw/zinc/87/32/08/935873208.db2.gz RTBZPQMMKIEZLM-UHFFFAOYSA-N 1 0 370.541 3.750 20 10 FHCDRO COc1c(O)c(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000278294314 938289036 /nfs/dbraw/zinc/28/90/36/938289036.db2.gz VBUOILBJZKMIGW-JTQLQIEISA-N 1 0 351.428 3.575 20 10 FHCDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000278332519 938310955 /nfs/dbraw/zinc/31/09/55/938310955.db2.gz WNBARHQUPDASNY-OAQYLSRUSA-N 1 0 367.449 3.599 20 10 FHCDRO CC(=O)c1ccccc1OCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176799484 938445678 /nfs/dbraw/zinc/44/56/78/938445678.db2.gz RKISJFUJAWNEMG-LJQANCHMSA-N 1 0 369.461 3.655 20 10 FHCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3cccc4nccn43)C2)cc1 ZINC000179428485 939161849 /nfs/dbraw/zinc/16/18/49/939161849.db2.gz PEVQPBAKKKQXFP-HNNXBMFYSA-N 1 0 372.419 3.694 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)c(O)c1OC ZINC000892500403 940098409 /nfs/dbraw/zinc/09/84/09/940098409.db2.gz SWGDRSPFLCKNMC-NSHDSACASA-N 1 0 353.365 3.862 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(F)c(F)c2)SC1=S ZINC000066144880 940302407 /nfs/dbraw/zinc/30/24/07/940302407.db2.gz AXGHOUPSTAGDSQ-ZSOIEALJSA-N 1 0 370.490 3.754 20 10 FHCDRO CSCC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000164225644 945317330 /nfs/dbraw/zinc/31/73/30/945317330.db2.gz CTMOQJCJKFEXIV-YJBOKZPZSA-N 1 0 369.538 3.940 20 10 FHCDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177973243 940495526 /nfs/dbraw/zinc/49/55/26/940495526.db2.gz RSOOPRAYHUOOTL-MRXNPFEDSA-N 1 0 355.457 3.933 20 10 FHCDRO COc1ccc(N2CCC([NH2+]CC[C@](C)(O)c3ccccc3)CC2)cc1 ZINC000376240844 940508530 /nfs/dbraw/zinc/50/85/30/940508530.db2.gz PNUMOKXMYVPKIC-QFIPXVFZSA-N 1 0 354.494 3.551 20 10 FHCDRO COc1ccc(C[NH2+]Cc2csc(Br)c2)c(O)c1OC ZINC000892562948 940784913 /nfs/dbraw/zinc/78/49/13/940784913.db2.gz NDMCVKWTJFZWLZ-UHFFFAOYSA-N 1 0 358.257 3.523 20 10 FHCDRO COc1ccc(C[NH2+]CC2(c3ccccc3C)CCOCC2)c(O)c1OC ZINC000892675235 941148207 /nfs/dbraw/zinc/14/82/07/941148207.db2.gz QDCFILQRPHKFPA-UHFFFAOYSA-N 1 0 371.477 3.556 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311311750 941231663 /nfs/dbraw/zinc/23/16/63/941231663.db2.gz NDANCNCLQACJPT-GJZGRUSLSA-N 1 0 364.486 3.841 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)CC(C)C)c2)c(O)c1OC ZINC000892721823 941465526 /nfs/dbraw/zinc/46/55/26/941465526.db2.gz AADLYJSQBCHXFD-UHFFFAOYSA-N 1 0 372.465 3.684 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(Br)c(F)c2)c(O)c1OC ZINC000892738260 941501421 /nfs/dbraw/zinc/50/14/21/941501421.db2.gz UHHGKWBNNVMTQS-UHFFFAOYSA-N 1 0 370.218 3.601 20 10 FHCDRO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000729286617 941708040 /nfs/dbraw/zinc/70/80/40/941708040.db2.gz DGCXBJRNYMSGQJ-GOSISDBHSA-N 1 0 353.510 3.899 20 10 FHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000377641812 941865169 /nfs/dbraw/zinc/86/51/69/941865169.db2.gz DRYTZXOTGAWBAD-SCLBCKFNSA-N 1 0 358.438 3.528 20 10 FHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000377693516 941907565 /nfs/dbraw/zinc/90/75/65/941907565.db2.gz GSPOGRPMQYILRO-JKSUJKDBSA-N 1 0 365.437 3.911 20 10 FHCDRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000377782141 941984939 /nfs/dbraw/zinc/98/49/39/941984939.db2.gz PQWDRLDVJRRUKK-BPAFIMBUSA-N 1 0 374.504 3.621 20 10 FHCDRO COc1ccc(C[NH2+]C[C@@H](OC)c2ccccc2Cl)c(O)c1OC ZINC000893169730 942362258 /nfs/dbraw/zinc/36/22/58/942362258.db2.gz UOIVTVPJGFIYCE-MRXNPFEDSA-N 1 0 351.830 3.540 20 10 FHCDRO COc1cc(O)c(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1OC ZINC000180521056 942377804 /nfs/dbraw/zinc/37/78/04/942377804.db2.gz ILDDRXFGCQBIQC-IBGZPJMESA-N 1 0 371.477 3.671 20 10 FHCDRO Cc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1O ZINC000182630561 942766472 /nfs/dbraw/zinc/76/64/72/942766472.db2.gz HKNLSYIKNQEOMH-HNNXBMFYSA-N 1 0 369.383 3.540 20 10 FHCDRO C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cc(Br)ccc1O ZINC000363850498 942843942 /nfs/dbraw/zinc/84/39/42/942843942.db2.gz HOBFKFSZVHQWAM-LBPRGKRZSA-N 1 0 373.254 3.586 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c(O)c1C ZINC000363851086 942845408 /nfs/dbraw/zinc/84/54/08/942845408.db2.gz HTVTYRXMKCRJJX-WBVHZDCISA-N 1 0 370.497 3.585 20 10 FHCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccccc1OCC(=O)N(C)C ZINC000183431489 942872429 /nfs/dbraw/zinc/87/24/29/942872429.db2.gz GXCHMQMLWOYAAZ-QAPCUYQASA-N 1 0 356.466 3.661 20 10 FHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c1O ZINC000367435354 942885548 /nfs/dbraw/zinc/88/55/48/942885548.db2.gz BOQQYGUDLVJBNI-LBPRGKRZSA-N 1 0 364.287 3.847 20 10 FHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1C ZINC000273125461 942896136 /nfs/dbraw/zinc/89/61/36/942896136.db2.gz YUIFLLTYMHBRJE-MRXNPFEDSA-N 1 0 372.484 3.955 20 10 FHCDRO COc1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)ccc1OCCO ZINC000273303824 942928091 /nfs/dbraw/zinc/92/80/91/942928091.db2.gz CESFRDLZWBSFMM-HNNXBMFYSA-N 1 0 371.477 3.502 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(O)c1C ZINC000273409017 942950407 /nfs/dbraw/zinc/95/04/07/942950407.db2.gz PEAABJWSFBAKGM-UZLBHIALSA-N 1 0 368.477 3.977 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(O)c1C ZINC000273419049 942952248 /nfs/dbraw/zinc/95/22/48/942952248.db2.gz RRLHWRBMRWCFRM-MRXNPFEDSA-N 1 0 358.457 3.836 20 10 FHCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000271738470 943043140 /nfs/dbraw/zinc/04/31/40/943043140.db2.gz PNKPBAURLKEDAJ-UHFFFAOYSA-N 1 0 361.388 3.774 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccsc2)C1 ZINC000435543360 943478457 /nfs/dbraw/zinc/47/84/57/943478457.db2.gz VTGLCOQVTULFGY-UHFFFAOYSA-N 1 0 367.518 3.786 20 10 FHCDRO CCC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000435808793 943784386 /nfs/dbraw/zinc/78/43/86/943784386.db2.gz NPRNBDILZNDKCW-UHFFFAOYSA-N 1 0 353.510 3.714 20 10 FHCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000123091097 944085246 /nfs/dbraw/zinc/08/52/46/944085246.db2.gz QCLHHPPVMXIYIM-CCKFTAQKSA-N 1 0 352.906 3.785 20 10 FHCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000781910855 944181740 /nfs/dbraw/zinc/18/17/40/944181740.db2.gz OLCHFQOHEXHUOS-UONOGXRCSA-N 1 0 354.288 3.712 20 10 FHCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c1O ZINC000894591721 944305314 /nfs/dbraw/zinc/30/53/14/944305314.db2.gz FSURBJRFLAYJSD-HNNXBMFYSA-N 1 0 370.449 3.859 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c(O)c1OC ZINC000894626472 944335815 /nfs/dbraw/zinc/33/58/15/944335815.db2.gz UJFVAIWTAOJGBM-ZDUSSCGKSA-N 1 0 371.412 3.585 20 10 FHCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1OC ZINC000894744670 944545134 /nfs/dbraw/zinc/54/51/34/944545134.db2.gz CMNZSGPWCSBAAB-GFCCVEGCSA-N 1 0 353.340 3.604 20 10 FHCDRO COc1ccc([C@H](O)C2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)cc1 ZINC000894814627 944666613 /nfs/dbraw/zinc/66/66/13/944666613.db2.gz YYJTVOOSEFKZNG-NRFANRHFSA-N 1 0 371.477 3.663 20 10 FHCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c1O ZINC000894366026 945053718 /nfs/dbraw/zinc/05/37/18/945053718.db2.gz KCABAFBFFCWFKZ-AWEZNQCLSA-N 1 0 353.422 3.653 20 10 FHCDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000093016425 945450344 /nfs/dbraw/zinc/45/03/44/945450344.db2.gz JWQNZZPOWJRCAH-UHFFFAOYSA-N 1 0 358.555 3.697 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280947454 945476370 /nfs/dbraw/zinc/47/63/70/945476370.db2.gz JIBPYVRESRTDDK-XHDPSFHLSA-N 1 0 371.355 3.684 20 10 FHCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000281277509 945579625 /nfs/dbraw/zinc/57/96/25/945579625.db2.gz XHIQIHNQLQUUME-WMZOPIPTSA-N 1 0 361.505 3.725 20 10 FHCDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1OC ZINC000894486901 945780425 /nfs/dbraw/zinc/78/04/25/945780425.db2.gz YTAYPHNJYPXTBL-MRXNPFEDSA-N 1 0 359.470 3.867 20 10 FHCDRO COc1ccc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)c(O)c1OC ZINC000894491128 945801034 /nfs/dbraw/zinc/80/10/34/945801034.db2.gz VNYIWEBXNFWPBZ-UHFFFAOYSA-N 1 0 370.493 3.506 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]3CCC[C@H]32)C1 ZINC000444279597 946164872 /nfs/dbraw/zinc/16/48/72/946164872.db2.gz GIUGJOKQASRJPS-FXAWDEMLSA-N 1 0 365.521 3.809 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cc(F)ccc1O ZINC000310647629 946358946 /nfs/dbraw/zinc/35/89/46/946358946.db2.gz DUAPZPROXYECBF-YDHLFZDLSA-N 1 0 352.450 3.970 20 10 FHCDRO Cc1cc(O)c(CNc2cccc(C[NH+]3CCC(O)CC3)c2)c(Cl)c1 ZINC000840897693 946643890 /nfs/dbraw/zinc/64/38/90/946643890.db2.gz NQKFHAKRAOAZOG-UHFFFAOYSA-N 1 0 360.885 3.923 20 10 FHCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000178459369 946830873 /nfs/dbraw/zinc/83/08/73/946830873.db2.gz OBDIYRWPJFIETG-HRAATJIYSA-N 1 0 358.457 3.701 20 10 FHCDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1O ZINC000897264560 947069498 /nfs/dbraw/zinc/06/94/98/947069498.db2.gz DOHDZGKYSSJJBY-SFHVURJKSA-N 1 0 369.461 3.560 20 10 FHCDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC000121297196 947095112 /nfs/dbraw/zinc/09/51/12/947095112.db2.gz PMHBFYFUNZCKAI-GQCTYLIASA-N 1 0 367.449 3.577 20 10 FHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301260943 947256690 /nfs/dbraw/zinc/25/66/90/947256690.db2.gz VDUUZNRFSNUSDA-MRXNPFEDSA-N 1 0 358.873 3.790 20 10 FHCDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000108561698 947506345 /nfs/dbraw/zinc/50/63/45/947506345.db2.gz VFKWHFILCLVCES-UHFFFAOYSA-N 1 0 367.493 3.617 20 10 FHCDRO CC(C)(C)c1cc(CNC[C@H](O)C[NH+]2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000236779177 947685678 /nfs/dbraw/zinc/68/56/78/947685678.db2.gz SSHLEVUJLXJTKW-SFHVURJKSA-N 1 0 362.558 3.534 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1 ZINC000760035670 947738278 /nfs/dbraw/zinc/73/82/78/947738278.db2.gz CDZTXNXWAXXNHJ-ITEAAPOESA-N 1 0 373.468 3.964 20 10 FHCDRO Fc1cc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)ccc1N1CCOCC1 ZINC000800223123 947997843 /nfs/dbraw/zinc/99/78/43/947997843.db2.gz RVTPUPANWKJJGY-UYAOXDASSA-N 1 0 369.484 3.873 20 10 FHCDRO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000925775568 948045569 /nfs/dbraw/zinc/04/55/69/948045569.db2.gz HLBDBJDCEFBSNZ-TVQRCGJNSA-N 1 0 353.240 3.985 20 10 FHCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC ZINC000160193582 948344120 /nfs/dbraw/zinc/34/41/20/948344120.db2.gz DRNBGXMJNTVBPA-SFHVURJKSA-N 1 0 357.450 3.591 20 10 FHCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1O ZINC000278983589 948364094 /nfs/dbraw/zinc/36/40/94/948364094.db2.gz PEONLVWJGJTCFR-QWHCGFSZSA-N 1 0 364.287 3.573 20 10 FHCDRO COC[C@@](C)(CCO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237207949 948444507 /nfs/dbraw/zinc/44/45/07/948444507.db2.gz RQXGTHMKLUWNLG-OAQYLSRUSA-N 1 0 351.531 3.864 20 10 FHCDRO Cc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000108858914 206040163 /nfs/dbraw/zinc/04/01/63/206040163.db2.gz QKKRHTLAXQDAMW-BBWFWOEESA-N 1 0 368.525 3.585 20 10 FHCDRO Oc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826511258 608311051 /nfs/dbraw/zinc/31/10/51/608311051.db2.gz IMVHZKUHVFZZKI-UHFFFAOYSA-N 1 0 357.417 3.529 20 10 FHCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000274656015 927369493 /nfs/dbraw/zinc/36/94/93/927369493.db2.gz VVINRDJJQNHEGC-ULQDDVLXSA-N 1 0 357.473 3.994 20 10 FHCDRO COc1ccc(N2CCC([NH2+]CCCn3cnc4ccccc43)CC2)cc1 ZINC000161554171 937168668 /nfs/dbraw/zinc/16/86/68/937168668.db2.gz MRTZCPOWVORCIC-UHFFFAOYSA-N 1 0 364.493 3.694 20 10 FHCDRO COCCOc1ccc(N2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)cc1 ZINC001208167790 927928646 /nfs/dbraw/zinc/92/86/46/927928646.db2.gz KHTJZLLSDRSJFR-GOSISDBHSA-N 1 0 372.509 3.929 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)cn1 ZINC000274964564 929087735 /nfs/dbraw/zinc/08/77/35/929087735.db2.gz XDOVVKUOPWYGNZ-OAHLLOKOSA-N 1 0 359.901 3.795 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(N2CCC(O)CC2)cc1 ZINC000155924628 937374689 /nfs/dbraw/zinc/37/46/89/937374689.db2.gz XDDDYRFUPMDATR-WTOYTKOKSA-N 1 0 368.525 3.679 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000155927512 937374918 /nfs/dbraw/zinc/37/49/18/937374918.db2.gz HRTCJCNXTYVQFF-GOSISDBHSA-N 1 0 365.525 3.787 20 10 FHCDRO COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(C[NH3+])cc2)CCCC1 ZINC000653130970 930059392 /nfs/dbraw/zinc/05/93/92/930059392.db2.gz QDCRNGNCSJIZPK-UHFFFAOYSA-N 1 0 363.461 3.626 20 10 FHCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083630606 930705021 /nfs/dbraw/zinc/70/50/21/930705021.db2.gz OYROOTDUSMYZSN-SFHVURJKSA-N 1 0 363.498 3.555 20 10 FHCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(-c2ccccc2)n1 ZINC001167423024 930920463 /nfs/dbraw/zinc/92/04/63/930920463.db2.gz KFMPIVWADMKGEU-UHFFFAOYSA-N 1 0 373.504 3.816 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1 ZINC000160582118 930980050 /nfs/dbraw/zinc/98/00/50/930980050.db2.gz NGCPGPBQWRXFTB-IBGZPJMESA-N 1 0 367.537 3.826 20 10 FHCDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(OCC)ccc1O ZINC000160741292 931528944 /nfs/dbraw/zinc/52/89/44/931528944.db2.gz ISSRCHVWYPJUPD-UHFFFAOYSA-N 1 0 356.466 3.950 20 10 FHCDRO CC[C@H]([NH2+]Cc1ncccc1OC)c1cc(Br)ccc1O ZINC000834906659 932269838 /nfs/dbraw/zinc/26/98/38/932269838.db2.gz RLVQEYVQRCCOAB-ZDUSSCGKSA-N 1 0 351.244 3.799 20 10 FHCDRO COc1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(O)c1OC ZINC000891517842 932685549 /nfs/dbraw/zinc/68/55/49/932685549.db2.gz YOZDEAFMVOXDDB-HNNXBMFYSA-N 1 0 363.479 3.652 20 10 FHCDRO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000276649389 932818700 /nfs/dbraw/zinc/81/87/00/932818700.db2.gz SQDNWVNSAPXKAV-LJQANCHMSA-N 1 0 356.441 3.535 20 10 FHCDRO COc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c(O)c1OC ZINC000891713532 933060295 /nfs/dbraw/zinc/06/02/95/933060295.db2.gz IDBURRTYBRIWMG-UHFFFAOYSA-N 1 0 367.449 3.665 20 10 FHCDRO COc1cc(N2CC[NH+](C/C=C\c3ccccc3)CC2)cc(OC)c1OC ZINC000588455685 933592696 /nfs/dbraw/zinc/59/26/96/933592696.db2.gz VPEGCDTUGWQHIH-YFHOEESVSA-N 1 0 368.477 3.548 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1 ZINC000277002300 934429916 /nfs/dbraw/zinc/42/99/16/934429916.db2.gz ANFKJSKHRVPZLB-LBPRGKRZSA-N 1 0 353.871 3.608 20 10 FHCDRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1O ZINC000156755011 934938704 /nfs/dbraw/zinc/93/87/04/934938704.db2.gz UDQZVYPUHWAMGZ-CVEARBPZSA-N 1 0 350.256 3.929 20 10 FHCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000157060661 935017503 /nfs/dbraw/zinc/01/75/03/935017503.db2.gz RPFPJTZSRHYPEQ-HNNXBMFYSA-N 1 0 369.465 3.590 20 10 FHCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001167522172 935115601 /nfs/dbraw/zinc/11/56/01/935115601.db2.gz UHQNMAQQBCOMGQ-LJQANCHMSA-N 1 0 356.441 3.939 20 10 FHCDRO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000158561171 935839501 /nfs/dbraw/zinc/83/95/01/935839501.db2.gz HTFBYXZJAGUDJS-VGSWGCGISA-N 1 0 371.500 3.616 20 10 FHCDRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160687284 936117995 /nfs/dbraw/zinc/11/79/95/936117995.db2.gz BSKOHOKYTKIASU-UTKZUKDTSA-N 1 0 351.494 3.767 20 10 FHCDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894331337 945182167 /nfs/dbraw/zinc/18/21/67/945182167.db2.gz FWIIJLBUMMOBGK-UHFFFAOYSA-N 1 0 353.365 3.609 20 10 FHCDRO O=C(NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)c1ccoc1 ZINC000145002724 938952427 /nfs/dbraw/zinc/95/24/27/938952427.db2.gz PGWCBAYCBUDZHX-UHFFFAOYSA-N 1 0 350.418 3.533 20 10 FHCDRO COc1cccc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1O ZINC000179754446 939931804 /nfs/dbraw/zinc/93/18/04/939931804.db2.gz POUPRRWMGOCQJG-RDJZCZTQSA-N 1 0 368.260 3.798 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c(O)c1OC ZINC000892490370 940029599 /nfs/dbraw/zinc/02/95/99/940029599.db2.gz SJVSEFZWIXNTGU-UHFFFAOYSA-N 1 0 371.355 3.640 20 10 FHCDRO CCOCc1cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)ccc1OC ZINC000376009342 940184675 /nfs/dbraw/zinc/18/46/75/940184675.db2.gz WVXAKVFZZAAVEM-QUCCMNQESA-N 1 0 374.525 3.503 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c(O)c1C ZINC000376063107 940259750 /nfs/dbraw/zinc/25/97/50/940259750.db2.gz XNNLJLFCWHQSOI-UNEWFSDZSA-N 1 0 357.454 3.840 20 10 FHCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000382534358 940340065 /nfs/dbraw/zinc/34/00/65/940340065.db2.gz NIXWFOMFKXDKOA-LSDHHAIUSA-N 1 0 354.878 3.971 20 10 FHCDRO Cc1nc(CN2CCC[C@@H]([NH2+][C@@H](C)c3ccc4ccccc4c3O)C2)no1 ZINC000376304417 940736543 /nfs/dbraw/zinc/73/65/43/940736543.db2.gz FJBNRQUTQNTVJK-WMLDXEAASA-N 1 0 366.465 3.552 20 10 FHCDRO O=C(NC1CC[NH+](Cc2c(O)cccc2Cl)CC1)C1CCCCC1 ZINC000122328931 941528399 /nfs/dbraw/zinc/52/83/99/941528399.db2.gz UALITUSDAVEZDY-UHFFFAOYSA-N 1 0 350.890 3.707 20 10 FHCDRO COc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c(O)c1OC ZINC000893135750 942093475 /nfs/dbraw/zinc/09/34/75/942093475.db2.gz SFLNQYVDSKQRAM-MRXNPFEDSA-N 1 0 355.434 3.946 20 10 FHCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000280062231 942095080 /nfs/dbraw/zinc/09/50/80/942095080.db2.gz KMELCAKNZFOKLM-QUCCMNQESA-N 1 0 352.478 3.790 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CC)s2)cc1 ZINC000280210550 942130170 /nfs/dbraw/zinc/13/01/70/942130170.db2.gz UDTZUJUFMIKQAT-CQSZACIVSA-N 1 0 366.552 3.849 20 10 FHCDRO CC[NH2+]Cc1cccc(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000415921466 942148559 /nfs/dbraw/zinc/14/85/59/942148559.db2.gz QQUBAGQPTFRJFQ-UHFFFAOYSA-N 1 0 350.466 3.918 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)c1 ZINC000182372783 942726533 /nfs/dbraw/zinc/72/65/33/942726533.db2.gz CWSUAAMURRCXGV-CQSZACIVSA-N 1 0 350.418 3.843 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(Cc2ccc(C)cc2)C2CC2)c1 ZINC000182393488 942730215 /nfs/dbraw/zinc/73/02/15/942730215.db2.gz VEUPIJZAPXETQD-INIZCTEOSA-N 1 0 368.477 3.551 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)cc1 ZINC000363824854 942772687 /nfs/dbraw/zinc/77/26/87/942772687.db2.gz MKEJSWXEJOSTNP-LAUBAEHRSA-N 1 0 368.525 3.594 20 10 FHCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)cc1 ZINC000363824851 942772791 /nfs/dbraw/zinc/77/27/91/942772791.db2.gz MKEJSWXEJOSTNP-DYESRHJHSA-N 1 0 368.525 3.594 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(Br)cc1O ZINC000363850550 942843983 /nfs/dbraw/zinc/84/39/83/942843983.db2.gz HPPWUMSGGRBNFH-GFCCVEGCSA-N 1 0 373.254 3.586 20 10 FHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)c1 ZINC000363855281 942859434 /nfs/dbraw/zinc/85/94/34/942859434.db2.gz NJOKFLOZLIJTOO-WMZOPIPTSA-N 1 0 362.477 3.549 20 10 FHCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000183445862 942874592 /nfs/dbraw/zinc/87/45/92/942874592.db2.gz QSILUCONCGBHMG-JSGCOSHPSA-N 1 0 355.356 3.502 20 10 FHCDRO COc1cc2c(cc1OC)C[N@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC000014254162 942922124 /nfs/dbraw/zinc/92/21/24/942922124.db2.gz XAGUVIHSVGPKLU-UHFFFAOYSA-N 1 0 350.418 3.516 20 10 FHCDRO Cc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c(O)c1C ZINC000273350624 942938129 /nfs/dbraw/zinc/93/81/29/942938129.db2.gz BPBDQHVQWZAGGF-JXFKEZNVSA-N 1 0 367.493 3.632 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c(O)c1C ZINC000273374607 942943514 /nfs/dbraw/zinc/94/35/14/942943514.db2.gz GVTFQQUGBNUGGL-GOSISDBHSA-N 1 0 354.494 3.692 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c(O)c1C ZINC000273442909 942958515 /nfs/dbraw/zinc/95/85/15/942958515.db2.gz ZBFCJRQNPFIOAP-KRWDZBQOSA-N 1 0 352.478 3.982 20 10 FHCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(SC)cc3)c2)CC1 ZINC000184255815 942990217 /nfs/dbraw/zinc/99/02/17/942990217.db2.gz DTURPNSBBZLLMU-UHFFFAOYSA-N 1 0 355.507 3.803 20 10 FHCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C)c(C)c3O)CC2)nc(C)n1 ZINC000273603154 942995386 /nfs/dbraw/zinc/99/53/86/942995386.db2.gz SKUNWQIZCCTTKS-MRXNPFEDSA-N 1 0 354.498 3.735 20 10 FHCDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186198215 943284505 /nfs/dbraw/zinc/28/45/05/943284505.db2.gz RMRYCBXLIVWTRF-HOTGVXAUSA-N 1 0 373.456 3.995 20 10 FHCDRO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1O ZINC000186352664 943307060 /nfs/dbraw/zinc/30/70/60/943307060.db2.gz ZJEUNVOJDUGZSH-HNNXBMFYSA-N 1 0 358.457 3.909 20 10 FHCDRO CC[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000236850994 943396001 /nfs/dbraw/zinc/39/60/01/943396001.db2.gz HUWOESKQWHKYOR-UHFFFAOYSA-N 1 0 369.509 3.564 20 10 FHCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC000423147722 943408930 /nfs/dbraw/zinc/40/89/30/943408930.db2.gz DFIFOSQLSWKJKX-UHFFFAOYSA-N 1 0 352.356 3.624 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2cc(N(C)C)nc3ccccc23)c1O ZINC000894308318 943507997 /nfs/dbraw/zinc/50/79/97/943507997.db2.gz BEKVBJBIHKAOGK-UHFFFAOYSA-N 1 0 351.450 3.613 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)c(O)c1OC ZINC000893301481 943526390 /nfs/dbraw/zinc/52/63/90/943526390.db2.gz CBBRFIGJURKDMB-UHFFFAOYSA-N 1 0 373.449 3.655 20 10 FHCDRO COc1cc(N2CC[NH+](CCCC(C)(C)C)CC2)cc(OC)c1OC ZINC000781914198 944206596 /nfs/dbraw/zinc/20/65/96/944206596.db2.gz AJVHREQNZOYVNS-UHFFFAOYSA-N 1 0 350.503 3.661 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c(O)c1OC ZINC000894624202 944334776 /nfs/dbraw/zinc/33/47/76/944334776.db2.gz UJFVAIWTAOJGBM-CYBMUJFWSA-N 1 0 371.412 3.585 20 10 FHCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000729463577 944348877 /nfs/dbraw/zinc/34/88/77/944348877.db2.gz JACHDYOEYLMGEU-UHFFFAOYSA-N 1 0 371.477 3.961 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000319467294 944554388 /nfs/dbraw/zinc/55/43/88/944554388.db2.gz QCNGRMBWGNWCPW-UHFFFAOYSA-N 1 0 365.319 3.672 20 10 FHCDRO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000124017509 945006454 /nfs/dbraw/zinc/00/64/54/945006454.db2.gz JRVNICYJGMCLSR-AWEZNQCLSA-N 1 0 363.820 3.581 20 10 FHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)c(C)c1OC ZINC000894516019 945869668 /nfs/dbraw/zinc/86/96/68/945869668.db2.gz XVNKHAXKRJBSKW-CYBMUJFWSA-N 1 0 361.438 3.586 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC23CCCC3)C1 ZINC000444400988 946458641 /nfs/dbraw/zinc/45/86/41/946458641.db2.gz FIFCYNAVJMIBRV-NRFANRHFSA-N 1 0 365.521 3.857 20 10 FHCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(Br)cc3O)C2)n1 ZINC000897044884 946519707 /nfs/dbraw/zinc/51/97/07/946519707.db2.gz PURYUSSPIAMGBX-GXFFZTMASA-N 1 0 366.259 3.526 20 10 FHCDRO COc1ccc(N2CC[NH+](C[C@@H](C)COCc3ccccc3)CC2)cc1F ZINC001168069340 946552728 /nfs/dbraw/zinc/55/27/28/946552728.db2.gz UJXIONIGXVWNAE-GOSISDBHSA-N 1 0 372.484 3.809 20 10 FHCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825285099 947143473 /nfs/dbraw/zinc/14/34/73/947143473.db2.gz JMZSTGDVYOAFIM-HNNXBMFYSA-N 1 0 351.454 3.936 20 10 FHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000165171421 947701321 /nfs/dbraw/zinc/70/13/21/947701321.db2.gz WGAZUOSWOIRPBV-CQSZACIVSA-N 1 0 362.420 3.661 20 10 FHCDRO Cc1cccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)c1O ZINC000826298376 947863308 /nfs/dbraw/zinc/86/33/08/947863308.db2.gz PWXZJXCTVNQMBC-UHFFFAOYSA-N 1 0 351.454 3.539 20 10 FHCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC001167806158 947983985 /nfs/dbraw/zinc/98/39/85/947983985.db2.gz BSDCHPBZQWOHEF-KRWDZBQOSA-N 1 0 359.901 3.962 20 10 FHCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1OC ZINC000165950536 948081187 /nfs/dbraw/zinc/08/11/87/948081187.db2.gz CTABKSNYRMQREL-OAHLLOKOSA-N 1 0 374.456 3.530 20 10 FHCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCC1 ZINC000759968529 948318733 /nfs/dbraw/zinc/31/87/33/948318733.db2.gz GMGHKQRNEABJQA-GVDBMIGSSA-N 1 0 364.505 3.877 20 10 FHCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050136955 948454032 /nfs/dbraw/zinc/45/40/32/948454032.db2.gz PIDWHJYMCFLVKS-INIZCTEOSA-N 1 0 373.522 3.507 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000736533301 598885606 /nfs/dbraw/zinc/88/56/06/598885606.db2.gz YFOZQGHMXUUFCE-AWEZNQCLSA-N 1 0 368.460 3.703 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C1CCCC1 ZINC000738401197 598702272 /nfs/dbraw/zinc/70/22/72/598702272.db2.gz PZTHKJVFAWFVOP-UHFFFAOYSA-N 1 0 367.428 3.656 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820431982 599395910 /nfs/dbraw/zinc/39/59/10/599395910.db2.gz JSQQWBHQRMINGE-INIZCTEOSA-N 1 0 362.481 3.708 20 10 FHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1 ZINC000826291686 608310454 /nfs/dbraw/zinc/31/04/54/608310454.db2.gz QYUXITRLBVAQNZ-UHFFFAOYSA-N 1 0 371.444 3.838 20 10 FHCDRO CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(N(C)C)cc1 ZINC000162248693 936366716 /nfs/dbraw/zinc/36/67/16/936366716.db2.gz LKASMPFCIZYAQS-QFIPXVFZSA-N 1 0 352.526 3.853 20 10 FHCDRO COc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc(OC)c1 ZINC000160185055 927148527 /nfs/dbraw/zinc/14/85/27/927148527.db2.gz PNRYRXFWPXBXQO-SFHVURJKSA-N 1 0 357.450 3.591 20 10 FHCDRO CCOc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC ZINC000160184238 927154548 /nfs/dbraw/zinc/15/45/48/927154548.db2.gz JVOPDIDBYMZDTJ-IBGZPJMESA-N 1 0 371.477 3.981 20 10 FHCDRO CCC[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(C)C ZINC001266259015 927205645 /nfs/dbraw/zinc/20/56/45/927205645.db2.gz NUUIWEHSFSIHBD-QFIPXVFZSA-N 1 0 371.569 3.907 20 10 FHCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000274759383 928018825 /nfs/dbraw/zinc/01/88/25/928018825.db2.gz JOROYRXUVZHMMX-HOTGVXAUSA-N 1 0 360.523 3.958 20 10 FHCDRO Cc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1F ZINC000254926852 928269158 /nfs/dbraw/zinc/26/91/58/928269158.db2.gz OSVUZFAEYODHKL-OQLLNIDSSA-N 1 0 366.527 3.923 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000254985785 928682791 /nfs/dbraw/zinc/68/27/91/928682791.db2.gz GMMGGJRRFOEURL-NTEUORMPSA-N 1 0 352.500 3.615 20 10 FHCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000382441310 929675059 /nfs/dbraw/zinc/67/50/59/929675059.db2.gz FPYJWMBCPZLRCG-OLZOCXBDSA-N 1 0 354.878 3.829 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3coc4ccccc34)SC2=S)CC1 ZINC000160320306 929733682 /nfs/dbraw/zinc/73/36/82/929733682.db2.gz CAPMHNOFJWKTDU-YBEGLDIGSA-N 1 0 358.488 3.728 20 10 FHCDRO COc1cc(O)c(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)cc1OC ZINC000160407520 930327877 /nfs/dbraw/zinc/32/78/77/930327877.db2.gz DYFCIKDHVAOSMO-UHFFFAOYSA-N 1 0 371.355 3.940 20 10 FHCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000046751646 930330590 /nfs/dbraw/zinc/33/05/90/930330590.db2.gz VYUDDQWDJAZZPT-LJQANCHMSA-N 1 0 374.573 3.939 20 10 FHCDRO CN(C)c1ccc([C@@H](CNC(=O)c2sccc2Cl)[NH+](C)C)cc1 ZINC000891246644 930526519 /nfs/dbraw/zinc/52/65/19/930526519.db2.gz CYLFXDNJFXSZQC-OAHLLOKOSA-N 1 0 351.903 3.500 20 10 FHCDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001167397945 930666917 /nfs/dbraw/zinc/66/69/17/930666917.db2.gz LPLGTQPGBJOPOY-MRXNPFEDSA-N 1 0 373.928 3.585 20 10 FHCDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000160511785 930726767 /nfs/dbraw/zinc/72/67/67/930726767.db2.gz TUQISWSVWNDSLG-OAHLLOKOSA-N 1 0 359.466 3.729 20 10 FHCDRO COc1cc(C)cc(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1O ZINC000780491765 930849547 /nfs/dbraw/zinc/84/95/47/930849547.db2.gz CNBVVTORSAOHAN-UHFFFAOYSA-N 1 0 364.486 3.588 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4[nH]c(C5CC5)cc4n3)cc2)CC1 ZINC001167426843 930949764 /nfs/dbraw/zinc/94/97/64/930949764.db2.gz LUMAUZUSRUOEFK-UHFFFAOYSA-N 1 0 361.493 3.804 20 10 FHCDRO COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2[nH]ccc21 ZINC001167431035 931031064 /nfs/dbraw/zinc/03/10/64/931031064.db2.gz CEDUXEBBVHYGSI-UHFFFAOYSA-N 1 0 350.466 3.540 20 10 FHCDRO Cc1nc2c(cccc2NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC001167437400 931281712 /nfs/dbraw/zinc/28/17/12/931281712.db2.gz USZMDXOVUWWBIG-UHFFFAOYSA-N 1 0 352.507 3.969 20 10 FHCDRO [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279108469 932119627 /nfs/dbraw/zinc/11/96/27/932119627.db2.gz SZNHEJAXYFWACQ-GASCZTMLSA-N 1 0 350.453 3.757 20 10 FHCDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000178202268 932872679 /nfs/dbraw/zinc/87/26/79/932872679.db2.gz PIDWGAWZYNXRIS-HNNXBMFYSA-N 1 0 365.399 3.849 20 10 FHCDRO C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000101595654 932982135 /nfs/dbraw/zinc/98/21/35/932982135.db2.gz ZJZZYDOJLGYUDV-BETUJISGSA-N 1 0 361.313 3.678 20 10 FHCDRO C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C)O1 ZINC000101595656 932983116 /nfs/dbraw/zinc/98/31/16/932983116.db2.gz ZJZZYDOJLGYUDV-CHWSQXEVSA-N 1 0 361.313 3.678 20 10 FHCDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(Br)c1 ZINC001207226534 933015848 /nfs/dbraw/zinc/01/58/48/933015848.db2.gz YTEPHHCZLVSBJS-HNNXBMFYSA-N 1 0 354.219 3.771 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277106519 934492935 /nfs/dbraw/zinc/49/29/35/934492935.db2.gz MBMRDWAJJSFJFX-GFCCVEGCSA-N 1 0 353.871 3.608 20 10 FHCDRO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178474046 934783951 /nfs/dbraw/zinc/78/39/51/934783951.db2.gz JETJSAKEYZEVGM-OAHLLOKOSA-N 1 0 362.420 3.531 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000472237081 935901662 /nfs/dbraw/zinc/90/16/62/935901662.db2.gz FIEFGQABSGJTAC-UHFFFAOYSA-N 1 0 368.525 3.647 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1cnn(C)c1 ZINC000152953823 935917890 /nfs/dbraw/zinc/91/78/90/935917890.db2.gz XLRUNWALVPUGTM-CYBMUJFWSA-N 1 0 368.403 3.638 20 10 FHCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)c1 ZINC000157713643 938416076 /nfs/dbraw/zinc/41/60/76/938416076.db2.gz SMNBPFHCUSDMKP-GOSISDBHSA-N 1 0 364.440 3.731 20 10 FHCDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157723319 938422950 /nfs/dbraw/zinc/42/29/50/938422950.db2.gz NTRZRVJGNMHNNM-CLCXKQKWSA-N 1 0 367.484 3.575 20 10 FHCDRO CC(=O)c1ccccc1OCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176799468 938445603 /nfs/dbraw/zinc/44/56/03/938445603.db2.gz RKISJFUJAWNEMG-IBGZPJMESA-N 1 0 369.461 3.655 20 10 FHCDRO CCCOc1ccc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(O)c1 ZINC000278782095 939011654 /nfs/dbraw/zinc/01/16/54/939011654.db2.gz PRYHQDUSBXCGDS-CQSZACIVSA-N 1 0 367.453 3.520 20 10 FHCDRO C[C@@H]1[C@H]([NH2+]Cc2c(O)cccc2Cl)CCCN1C(=O)OC(C)(C)C ZINC000310052696 939113769 /nfs/dbraw/zinc/11/37/69/939113769.db2.gz HVLQEJTXLRTJSQ-IUODEOHRSA-N 1 0 354.878 3.923 20 10 FHCDRO COc1ccc(N2CCC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000179550260 939887375 /nfs/dbraw/zinc/88/73/75/939887375.db2.gz VRNNFVXMRYYINE-UHFFFAOYSA-N 1 0 362.477 3.798 20 10 FHCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000177235602 940038644 /nfs/dbraw/zinc/03/86/44/940038644.db2.gz VHVKURHHCJRDQM-ZDUSSCGKSA-N 1 0 368.412 3.508 20 10 FHCDRO CN1CCCc2cc(C[NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000177270326 940066913 /nfs/dbraw/zinc/06/69/13/940066913.db2.gz NYOYAKIPAVPKAS-UHFFFAOYSA-N 1 0 359.514 3.558 20 10 FHCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(N(C)C)cc1 ZINC000376120369 940332677 /nfs/dbraw/zinc/33/26/77/940332677.db2.gz XYOPQSIQPNWOSB-QRVBRYPASA-N 1 0 370.497 3.974 20 10 FHCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178070458 940627640 /nfs/dbraw/zinc/62/76/40/940627640.db2.gz RSPYLEXZSRKEEH-DZGCQCFKSA-N 1 0 364.440 3.650 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(N(C)C)cc1 ZINC000160603290 940844975 /nfs/dbraw/zinc/84/49/75/940844975.db2.gz SOEAEFAMOAJNON-QHCPKHFHSA-N 1 0 367.537 3.826 20 10 FHCDRO Cc1cc(O)c(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1C ZINC000102393773 940888482 /nfs/dbraw/zinc/88/84/82/940888482.db2.gz OJKONAYWVKZIFK-UHFFFAOYSA-N 1 0 364.449 3.834 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311311749 941231637 /nfs/dbraw/zinc/23/16/37/941231637.db2.gz NDANCNCLQACJPT-CABCVRRESA-N 1 0 364.486 3.841 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000376756334 941417314 /nfs/dbraw/zinc/41/73/14/941417314.db2.gz CPUUMIYKZSYXCL-FXAWDEMLSA-N 1 0 366.505 3.692 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237089814 941726040 /nfs/dbraw/zinc/72/60/40/941726040.db2.gz RUYWIMBKRQJYBY-QGZVFWFLSA-N 1 0 361.530 3.798 20 10 FHCDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c(O)c(C(C)(C)C)c1 ZINC000178869408 941733698 /nfs/dbraw/zinc/73/36/98/941733698.db2.gz CTOQOTMPBHPVBL-CQSZACIVSA-N 1 0 359.470 3.769 20 10 FHCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(C)c(C)o1)c1ccccc1O ZINC000377690102 941904243 /nfs/dbraw/zinc/90/42/43/941904243.db2.gz DAEGDPXCYCQDJV-BQFCYCMXSA-N 1 0 361.461 3.650 20 10 FHCDRO COc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c(O)c1OC ZINC000893065776 941964592 /nfs/dbraw/zinc/96/45/92/941964592.db2.gz BXKZZPAFQTTZGO-GHTZIAJQSA-N 1 0 371.477 3.975 20 10 FHCDRO CC[C@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccc(C)cc1O ZINC000280062236 942095068 /nfs/dbraw/zinc/09/50/68/942095068.db2.gz KMEWPBFXAQQDKP-ICSRJNTNSA-N 1 0 365.477 3.580 20 10 FHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1O ZINC000280326817 942161019 /nfs/dbraw/zinc/16/10/19/942161019.db2.gz HKAGQPOBXNLOHD-VIFPVBQESA-N 1 0 367.218 3.742 20 10 FHCDRO CCCC[NH+](CCCC)CCNc1ccc(C2CC(=O)NC(=O)C2)cc1 ZINC001167733489 942485066 /nfs/dbraw/zinc/48/50/66/942485066.db2.gz XFYWGONNCHVQIS-UHFFFAOYSA-N 1 0 359.514 3.521 20 10 FHCDRO CCOc1ccc(O)c(C[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000378346659 942625426 /nfs/dbraw/zinc/62/54/26/942625426.db2.gz ALXXODXWQVYSKO-NRFANRHFSA-N 1 0 366.461 3.739 20 10 FHCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000378449295 942783820 /nfs/dbraw/zinc/78/38/20/942783820.db2.gz FLAIFOLXYTZBMZ-CQSZACIVSA-N 1 0 355.413 3.885 20 10 FHCDRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)[C@H](C)C2)s1 ZINC000363858839 942866122 /nfs/dbraw/zinc/86/61/22/942866122.db2.gz RGAVZVMJQUWWEY-VBHSOAQHSA-N 1 0 363.502 3.857 20 10 FHCDRO Cc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1C ZINC000273350627 942938270 /nfs/dbraw/zinc/93/82/70/942938270.db2.gz BPBDQHVQWZAGGF-OXJNMPFZSA-N 1 0 367.493 3.632 20 10 FHCDRO Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000273358127 942939596 /nfs/dbraw/zinc/93/95/96/942939596.db2.gz DFEABIXMXRZTQO-INIZCTEOSA-N 1 0 354.498 3.799 20 10 FHCDRO C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cc(Cl)ccc1O ZINC000273410917 942950538 /nfs/dbraw/zinc/95/05/38/942950538.db2.gz PNOYATCDSOQOAJ-VIFPVBQESA-N 1 0 370.762 3.958 20 10 FHCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273495927 942970723 /nfs/dbraw/zinc/97/07/23/942970723.db2.gz OJZDKKVNXWGSPM-WMZOPIPTSA-N 1 0 359.397 3.612 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2N2CCOCC2)c(O)c1C ZINC000273606731 942995306 /nfs/dbraw/zinc/99/53/06/942995306.db2.gz UIOIQNQNBZRUAN-MRXNPFEDSA-N 1 0 358.457 3.836 20 10 FHCDRO C[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1cc(F)ccc1O ZINC000760017458 943007274 /nfs/dbraw/zinc/00/72/74/943007274.db2.gz MNBPZHWEMJKEFD-CRAIPNDOSA-N 1 0 360.498 3.800 20 10 FHCDRO COc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000184829148 943054492 /nfs/dbraw/zinc/05/44/92/943054492.db2.gz VHSCKDFJSMJSGI-UHFFFAOYSA-N 1 0 365.539 3.796 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)c(O)c1 ZINC000185130516 943104714 /nfs/dbraw/zinc/10/47/14/943104714.db2.gz YPKZJVKROBCWDX-ZFWWWQNUSA-N 1 0 369.383 3.810 20 10 FHCDRO COc1cc(C)cc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c1O ZINC000894303997 943121594 /nfs/dbraw/zinc/12/15/94/943121594.db2.gz NNSJWWMLUOUFSU-UHFFFAOYSA-N 1 0 355.463 3.560 20 10 FHCDRO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185252678 943133977 /nfs/dbraw/zinc/13/39/77/943133977.db2.gz CPVOMLIENCABHY-INIZCTEOSA-N 1 0 352.478 3.628 20 10 FHCDRO C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(F)ccc1O ZINC000185629841 943197505 /nfs/dbraw/zinc/19/75/05/943197505.db2.gz CCZDLYGNUHOGJR-MRXNPFEDSA-N 1 0 370.468 3.663 20 10 FHCDRO CCOC(=O)c1nn(C)cc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000186153870 943278471 /nfs/dbraw/zinc/27/84/71/943278471.db2.gz ONIMNJCAYVNJDV-UHFFFAOYSA-N 1 0 371.481 3.637 20 10 FHCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000364151883 943706657 /nfs/dbraw/zinc/70/66/57/943706657.db2.gz WDENBEMZKFBIEN-SSKFGXFMSA-N 1 0 358.526 3.504 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1O ZINC000894617398 944323247 /nfs/dbraw/zinc/32/32/47/944323247.db2.gz IJEKVVXCYHUWDF-LLVKDONJSA-N 1 0 351.244 3.718 20 10 FHCDRO CC[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1O ZINC000364356406 944453144 /nfs/dbraw/zinc/45/31/44/944453144.db2.gz QQIJMWCGPNTFET-WMZOPIPTSA-N 1 0 366.440 3.846 20 10 FHCDRO COC[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(Cl)cc1 ZINC000894710973 944486971 /nfs/dbraw/zinc/48/69/71/944486971.db2.gz GUDIEECCWMSZJK-OAHLLOKOSA-N 1 0 365.857 3.583 20 10 FHCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167982683 944555426 /nfs/dbraw/zinc/55/54/26/944555426.db2.gz FWLTYAZSXMXXKQ-BQFCYCMXSA-N 1 0 373.415 3.873 20 10 FHCDRO CCc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1O ZINC000709423664 944619726 /nfs/dbraw/zinc/61/97/26/944619726.db2.gz QCJPHOHOPJIJTA-QGTPRVQTSA-N 1 0 360.498 3.832 20 10 FHCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C)c(C(C)=O)c3)c2)CC1 ZINC000194507774 944690121 /nfs/dbraw/zinc/69/01/21/944690121.db2.gz CDKRCUKAHCGTOM-UHFFFAOYSA-N 1 0 365.477 3.592 20 10 FHCDRO COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000194857588 944753947 /nfs/dbraw/zinc/75/39/47/944753947.db2.gz PUYVBVWIJOGQGC-HXUWFJFHSA-N 1 0 370.468 3.838 20 10 FHCDRO CC(=O)N1CCC(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000293653587 944873274 /nfs/dbraw/zinc/87/32/74/944873274.db2.gz ISZBCTNBPNLOMI-QFIPXVFZSA-N 1 0 366.505 3.914 20 10 FHCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1F ZINC000124034013 945062085 /nfs/dbraw/zinc/06/20/85/945062085.db2.gz UPTNGQDSUVGUPC-UHFFFAOYSA-N 1 0 356.441 3.692 20 10 FHCDRO C[N@H+](CCCCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839037032 945523563 /nfs/dbraw/zinc/52/35/63/945523563.db2.gz LBYGZZCPSABLMT-UHFFFAOYSA-N 1 0 355.320 3.644 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c1O ZINC000894883515 945696662 /nfs/dbraw/zinc/69/66/62/945696662.db2.gz YYPWETCOEQOLLO-INIZCTEOSA-N 1 0 369.383 3.941 20 10 FHCDRO COc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c(O)c1OC ZINC000894489510 945795858 /nfs/dbraw/zinc/79/58/58/945795858.db2.gz BIYVFRSHVPIVKH-QGZVFWFLSA-N 1 0 373.449 3.582 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c(O)c1OC ZINC000894517193 945873387 /nfs/dbraw/zinc/87/33/87/945873387.db2.gz RYPQPAWWZZWDPH-UHFFFAOYSA-N 1 0 374.481 3.909 20 10 FHCDRO COc1ccc(N2CC[NH+](C[C@H](C)COCc3ccccc3)CC2)cc1F ZINC001168069341 946552118 /nfs/dbraw/zinc/55/21/18/946552118.db2.gz UJXIONIGXVWNAE-SFHVURJKSA-N 1 0 372.484 3.809 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2Br)c(O)c1OC ZINC000894909684 946584258 /nfs/dbraw/zinc/58/42/58/946584258.db2.gz GWHLPMOGCWZFDX-UHFFFAOYSA-N 1 0 366.255 3.770 20 10 FHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000475198275 946706871 /nfs/dbraw/zinc/70/68/71/946706871.db2.gz OXWZIDDHHFZQBH-UHFFFAOYSA-N 1 0 374.488 3.574 20 10 FHCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(C)nn(C(C)C)c3C)C2)cc1 ZINC000895005803 946836785 /nfs/dbraw/zinc/83/67/85/946836785.db2.gz IKZYYWQVROXRLW-SFHVURJKSA-N 1 0 356.514 3.706 20 10 FHCDRO CCc1nccn1[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843770692 946907532 /nfs/dbraw/zinc/90/75/32/946907532.db2.gz WIXGBRIAOHALFW-QGZVFWFLSA-N 1 0 356.514 3.900 20 10 FHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(OC)c(OC)c2C)c1O ZINC000897245566 947024231 /nfs/dbraw/zinc/02/42/31/947024231.db2.gz CSCKAZLXWIAMCY-UHFFFAOYSA-N 1 0 351.830 3.670 20 10 FHCDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796703315 947200268 /nfs/dbraw/zinc/20/02/68/947200268.db2.gz RQKLFBSSWVCVLX-INIZCTEOSA-N 1 0 360.448 3.912 20 10 FHCDRO COc1c([O-])c(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278857354 947546527 /nfs/dbraw/zinc/54/65/27/947546527.db2.gz LRYMLUDEBIWQPY-CYBMUJFWSA-N 1 0 360.410 3.947 20 10 FHCDRO CC(C)(C)c1cc(C[NH2+]C[C@@H](O)COCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000236778953 947685811 /nfs/dbraw/zinc/68/58/11/947685811.db2.gz HMUAJDPTMLUAIQ-GOSISDBHSA-N 1 0 363.542 3.864 20 10 FHCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000893565189 947725703 /nfs/dbraw/zinc/72/57/03/947725703.db2.gz ZWMKYGTZRPZMHK-AEFFLSMTSA-N 1 0 361.413 3.558 20 10 FHCDRO Cc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000728882229 948091531 /nfs/dbraw/zinc/09/15/31/948091531.db2.gz LWVSGEZLFIPKPC-UHFFFAOYSA-N 1 0 353.510 3.816 20 10 FHCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237217724 948554973 /nfs/dbraw/zinc/55/49/73/948554973.db2.gz OAUJAGROJMVFGQ-OAQYLSRUSA-N 1 0 351.494 3.725 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821164303 607012641 /nfs/dbraw/zinc/01/26/41/607012641.db2.gz BBVYUCISODBPQO-LSDHHAIUSA-N 1 0 350.470 3.735 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)C1CCCC1 ZINC000826511128 608395342 /nfs/dbraw/zinc/39/53/42/608395342.db2.gz CXNBFIAEQBOURI-UHFFFAOYSA-N 1 0 367.428 3.656 20 10 FHCDRO CCOc1ccc(C[N@H+](CC)[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC000825639114 608551065 /nfs/dbraw/zinc/55/10/65/608551065.db2.gz RBIWPKJESANLEH-AWEZNQCLSA-N 1 0 367.453 3.554 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2cc(F)cc(F)c2)SC1=S ZINC000254984511 928676593 /nfs/dbraw/zinc/67/65/93/928676593.db2.gz AOGPDGSRSIXFBE-VGOFMYFVSA-N 1 0 370.490 3.754 20 10 FHCDRO Oc1cc2c(cc1O)C[N@H+](CC1CCN(c3ccccc3)CC1)CCC2 ZINC001208911274 928979293 /nfs/dbraw/zinc/97/92/93/928979293.db2.gz PZUDULJKMRKGAS-UHFFFAOYSA-N 1 0 352.478 3.763 20 10 FHCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cc(F)cc(Cl)c3)cc2)CC1 ZINC000275028180 929264009 /nfs/dbraw/zinc/26/40/09/929264009.db2.gz VOGCOVMACXNILU-UHFFFAOYSA-N 1 0 362.876 3.978 20 10 FHCDRO COc1ccccc1/C=C\C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000255030243 929344366 /nfs/dbraw/zinc/34/43/66/929344366.db2.gz CRCKIEOCUYHWKG-ALCCZGGFSA-N 1 0 352.478 3.677 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC2(C)CC2)C1 ZINC000471233332 929383742 /nfs/dbraw/zinc/38/37/42/929383742.db2.gz IZWNXOLUAHHNOE-UHFFFAOYSA-N 1 0 353.510 3.714 20 10 FHCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1OC ZINC000160369659 930228326 /nfs/dbraw/zinc/22/83/26/930228326.db2.gz ZVTZALXCASYGDQ-IBGZPJMESA-N 1 0 371.477 3.633 20 10 FHCDRO CSCCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269435 930857007 /nfs/dbraw/zinc/85/70/07/930857007.db2.gz UJCFUTQOMXGAHL-INIZCTEOSA-N 1 0 370.946 3.660 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000471612985 931040462 /nfs/dbraw/zinc/04/04/62/931040462.db2.gz VWMACMXIGSXDEJ-CVEARBPZSA-N 1 0 356.514 3.549 20 10 FHCDRO C[N@H+](Cc1csc(Br)c1)Cc1cc2c(cc1O)OCO2 ZINC000050898059 931806352 /nfs/dbraw/zinc/80/63/52/931806352.db2.gz SFEFNYYAGWCCSA-UHFFFAOYSA-N 1 0 356.241 3.577 20 10 FHCDRO CCN(C)c1ccc(C[N@H+](CC)[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC001167478135 932477079 /nfs/dbraw/zinc/47/70/79/932477079.db2.gz LDSFNSIGSUPLSK-OAQYLSRUSA-N 1 0 351.494 3.770 20 10 FHCDRO c1ccc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC000078969035 932562193 /nfs/dbraw/zinc/56/21/93/932562193.db2.gz LXHVYNUMXHKHAT-UHFFFAOYSA-N 1 0 350.510 3.831 20 10 FHCDRO COc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)c(O)c1OC ZINC000891535140 932715747 /nfs/dbraw/zinc/71/57/47/932715747.db2.gz AIJVUHJVGVOPMB-UHFFFAOYSA-N 1 0 357.450 3.591 20 10 FHCDRO COc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(O)c1OC ZINC000891547700 932733866 /nfs/dbraw/zinc/73/38/66/932733866.db2.gz IDQLKUVRVQGBHG-UHFFFAOYSA-N 1 0 355.434 3.504 20 10 FHCDRO FC(F)(F)CCCN1CC2(C1)C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001279230410 933610264 /nfs/dbraw/zinc/61/02/64/933610264.db2.gz GDWOXEVFJPNQJU-UHFFFAOYSA-N 1 0 367.459 3.747 20 10 FHCDRO Cc1ccsc1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000255428750 934784704 /nfs/dbraw/zinc/78/47/04/934784704.db2.gz KMETYTBDXLWJHT-MDWZMJQESA-N 1 0 354.566 3.846 20 10 FHCDRO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1O ZINC000363693938 934860330 /nfs/dbraw/zinc/86/03/30/934860330.db2.gz LJMKOJOPPKMSDY-QUCCMNQESA-N 1 0 352.478 3.524 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000472053326 934899985 /nfs/dbraw/zinc/89/99/85/934899985.db2.gz HYCRNRQGXUXEND-GOSISDBHSA-N 1 0 370.541 3.654 20 10 FHCDRO COc1ccc(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000892101967 934999077 /nfs/dbraw/zinc/99/90/77/934999077.db2.gz PMJUCFZKNFKQOG-SCLBCKFNSA-N 1 0 361.413 3.511 20 10 FHCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccn1 ZINC000158774566 938259954 /nfs/dbraw/zinc/25/99/54/938259954.db2.gz TXUZSZADVSOQSB-OAQYLSRUSA-N 1 0 353.510 3.921 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cncs1 ZINC000163399403 938365068 /nfs/dbraw/zinc/36/50/68/938365068.db2.gz IEEXFJIPJDYNTA-LBPRGKRZSA-N 1 0 371.428 3.849 20 10 FHCDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3cc(C)c(C)cc3O)[C@H](C)C2)s1 ZINC000363528662 938966862 /nfs/dbraw/zinc/96/68/62/938966862.db2.gz QNEDRWQGVQIZOU-BEFAXECRSA-N 1 0 359.539 3.774 20 10 FHCDRO COc1ccc(N2CCC([NH2+]CCn3c(C)nc4ccccc43)CC2)cc1 ZINC000162241422 940009673 /nfs/dbraw/zinc/00/96/73/940009673.db2.gz XAOVKGFNCZWXOK-UHFFFAOYSA-N 1 0 364.493 3.612 20 10 FHCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000177263934 940064336 /nfs/dbraw/zinc/06/43/36/940064336.db2.gz NJZUKGIYGLKKIB-QGZVFWFLSA-N 1 0 350.890 3.699 20 10 FHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1O ZINC000310627330 940121180 /nfs/dbraw/zinc/12/11/80/940121180.db2.gz DGGIIQXBYCVCGI-KBXCAEBGSA-N 1 0 360.885 3.807 20 10 FHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O ZINC000310627337 940121207 /nfs/dbraw/zinc/12/12/07/940121207.db2.gz DGGIIQXBYCVCGI-RDTXWAMCSA-N 1 0 360.885 3.807 20 10 FHCDRO O=C1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2cc(F)ccc2N1 ZINC000376068444 940268163 /nfs/dbraw/zinc/26/81/63/940268163.db2.gz OFZIPOTTZUDUIL-LJQANCHMSA-N 1 0 353.441 3.989 20 10 FHCDRO Cc1cc(F)ccc1/C=C1\SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000066145085 940302296 /nfs/dbraw/zinc/30/22/96/940302296.db2.gz SILQNKRGYBDAJB-DHDCSXOGSA-N 1 0 366.527 3.923 20 10 FHCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(C)cc1O ZINC000376113591 940329578 /nfs/dbraw/zinc/32/95/78/940329578.db2.gz KTAPHLWMJDONJA-KYJSFNMBSA-N 1 0 357.454 3.922 20 10 FHCDRO CC[C@@H]([NH2+]CCc1nnc(C)s1)c1cc(Br)ccc1O ZINC000289840074 940497734 /nfs/dbraw/zinc/49/77/34/940497734.db2.gz PVSUABYJKCXFTP-GFCCVEGCSA-N 1 0 356.289 3.598 20 10 FHCDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000178019739 940589918 /nfs/dbraw/zinc/58/99/18/940589918.db2.gz STPQVQNPDAPONS-GOSISDBHSA-N 1 0 351.494 3.758 20 10 FHCDRO Cc1ccc(F)c(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c1 ZINC000255913016 941019563 /nfs/dbraw/zinc/01/95/63/941019563.db2.gz XLMGVJQGGKVDGF-OQLLNIDSSA-N 1 0 366.527 3.923 20 10 FHCDRO Brc1ccsc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000105467858 941132445 /nfs/dbraw/zinc/13/24/45/941132445.db2.gz XKHFNYMSBRSVBW-UHFFFAOYSA-N 1 0 367.312 3.637 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000066700823 941224830 /nfs/dbraw/zinc/22/48/30/941224830.db2.gz BCWPHKSBXSQDIG-LJQANCHMSA-N 1 0 373.472 3.756 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c1 ZINC000311299883 941225904 /nfs/dbraw/zinc/22/59/04/941225904.db2.gz JJKGVSUUJZNAHF-HUUCEWRRSA-N 1 0 366.502 3.991 20 10 FHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](N(C)Cc2noc(C)n2)CC1 ZINC000377625395 941850130 /nfs/dbraw/zinc/85/01/30/941850130.db2.gz MGQKAASAJNZKPV-WMZOPIPTSA-N 1 0 358.486 3.521 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(c3nnc4cc(C)ccn43)CC2)c1 ZINC000377683855 941897760 /nfs/dbraw/zinc/89/77/60/941897760.db2.gz VFJVGKZBJYWJMB-OAHLLOKOSA-N 1 0 366.465 3.693 20 10 FHCDRO COc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccc(C)cc2)c(O)c1OC ZINC000893065777 941964659 /nfs/dbraw/zinc/96/46/59/941964659.db2.gz BXKZZPAFQTTZGO-NQIIRXRSSA-N 1 0 371.477 3.975 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000122656680 942016344 /nfs/dbraw/zinc/01/63/44/942016344.db2.gz WMHNKSMHNFRUMH-AWEZNQCLSA-N 1 0 360.889 3.616 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(C)cc1O ZINC000280058350 942094312 /nfs/dbraw/zinc/09/43/12/942094312.db2.gz KDGHZFUWBMRGBG-NRFANRHFSA-N 1 0 354.494 3.774 20 10 FHCDRO COc1cc(C)cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1O ZINC000180278744 942347618 /nfs/dbraw/zinc/34/76/18/942347618.db2.gz ACHFYXXIMWNEHQ-UHFFFAOYSA-N 1 0 369.387 3.762 20 10 FHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)cc1C ZINC000378344797 942612850 /nfs/dbraw/zinc/61/28/50/942612850.db2.gz CQIWBNQZAAIIHW-INIZCTEOSA-N 1 0 365.437 3.576 20 10 FHCDRO COCc1nccc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC000378444094 942771905 /nfs/dbraw/zinc/77/19/05/942771905.db2.gz VPDMLYNFUIEAPT-CQSZACIVSA-N 1 0 361.873 3.670 20 10 FHCDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)CCC2 ZINC000363860843 942871219 /nfs/dbraw/zinc/87/12/19/942871219.db2.gz HLXHYPTVWBNQSC-STQMWFEESA-N 1 0 364.287 3.888 20 10 FHCDRO COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccc3O)CC2)cc1 ZINC000183469736 942877494 /nfs/dbraw/zinc/87/74/94/942877494.db2.gz UGLZIABOMMHPDU-QGZVFWFLSA-N 1 0 354.494 3.964 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCCC2=O)c(O)c1C ZINC000273364948 942940447 /nfs/dbraw/zinc/94/04/47/942940447.db2.gz DYSDHNKISMJJPY-QGZVFWFLSA-N 1 0 352.478 3.982 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c(O)c1C ZINC000273377109 942943148 /nfs/dbraw/zinc/94/31/48/942943148.db2.gz HNXWNWDBLSNIQK-GFCCVEGCSA-N 1 0 364.371 3.921 20 10 FHCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Br)ccc1O ZINC000273393074 942947122 /nfs/dbraw/zinc/94/71/22/942947122.db2.gz LEOUEBOXNIRDHI-YGRLFVJLSA-N 1 0 350.260 3.616 20 10 FHCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000363910695 943034567 /nfs/dbraw/zinc/03/45/67/943034567.db2.gz RTXIFQZEPJRUCM-WWEWDKITSA-N 1 0 358.526 3.502 20 10 FHCDRO COc1cc(O)c(C[NH2+]Cc2cc(Br)ccc2F)cc1OC ZINC000271933595 943072329 /nfs/dbraw/zinc/07/23/29/943072329.db2.gz QFUSHMGMSYPKEX-UHFFFAOYSA-N 1 0 370.218 3.601 20 10 FHCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1O ZINC000185130609 943104235 /nfs/dbraw/zinc/10/42/35/943104235.db2.gz ORQPHALPYLXSEJ-SMDDNHRTSA-N 1 0 373.346 3.641 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H](C)C2CC2)C1 ZINC000435568406 943490685 /nfs/dbraw/zinc/49/06/85/943490685.db2.gz OUTBPFBJFOAWRH-MRXNPFEDSA-N 1 0 353.510 3.665 20 10 FHCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000092452960 943905997 /nfs/dbraw/zinc/90/59/97/943905997.db2.gz XEVUKEKZMXQTKF-UHFFFAOYSA-N 1 0 371.912 3.754 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c1 ZINC000760020327 944035735 /nfs/dbraw/zinc/03/57/35/944035735.db2.gz VCNRUPZTOIELIG-WMZOPIPTSA-N 1 0 372.534 3.669 20 10 FHCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000781910856 944181524 /nfs/dbraw/zinc/18/15/24/944181524.db2.gz OLCHFQOHEXHUOS-ZIAGYGMSSA-N 1 0 354.288 3.712 20 10 FHCDRO COc1cc(C)cc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c1O ZINC000894603479 944297654 /nfs/dbraw/zinc/29/76/54/944297654.db2.gz YHLBITWRUQOVMR-UHFFFAOYSA-N 1 0 372.431 3.604 20 10 FHCDRO COc1cc(C)cc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1O ZINC000894373772 944313264 /nfs/dbraw/zinc/31/32/64/944313264.db2.gz XYFVHSLKPFTAOT-UHFFFAOYSA-N 1 0 369.509 3.852 20 10 FHCDRO C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cc2c(cc1O)CCCC2 ZINC000756576952 944370853 /nfs/dbraw/zinc/37/08/53/944370853.db2.gz WNVVYFKWXLGGFT-JXFKEZNVSA-N 1 0 358.526 3.565 20 10 FHCDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000123565920 944373412 /nfs/dbraw/zinc/37/34/12/944373412.db2.gz FVMSNQNUEFEHPB-YWZLYKJASA-N 1 0 360.885 3.561 20 10 FHCDRO COc1cc(N2CC[NH+](CC3CCC(C)CC3)CC2)cc(OC)c1OC ZINC000759872819 944659460 /nfs/dbraw/zinc/65/94/60/944659460.db2.gz PTFOQSRBUURFDA-UHFFFAOYSA-N 1 0 362.514 3.661 20 10 FHCDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756635267 945060801 /nfs/dbraw/zinc/06/08/01/945060801.db2.gz FPVPCHRHMHQCTH-LRDDRELGSA-N 1 0 350.256 3.847 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNc3nc(C(C)C)ns3)cc2F)CC1 ZINC000301541038 945837190 /nfs/dbraw/zinc/83/71/90/945837190.db2.gz VJQXWEWDDDBCED-UHFFFAOYSA-N 1 0 363.506 3.555 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)c1 ZINC000894501574 945841224 /nfs/dbraw/zinc/84/12/24/945841224.db2.gz ANEFZFGMLJKZSV-NSHDSACASA-N 1 0 369.387 3.731 20 10 FHCDRO OCC1CCN(c2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)CC1 ZINC000281900924 945922146 /nfs/dbraw/zinc/92/21/46/945922146.db2.gz HTSQKUWVRMHDBV-UHFFFAOYSA-N 1 0 352.469 3.809 20 10 FHCDRO Cc1nc(C)c(C)c(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000301911349 946034080 /nfs/dbraw/zinc/03/40/80/946034080.db2.gz CJECMPMOMRVPOO-UHFFFAOYSA-N 1 0 365.525 3.546 20 10 FHCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccsc3)CC2)cc1 ZINC000178423280 946229634 /nfs/dbraw/zinc/22/96/34/946229634.db2.gz NETCQXLBGVIXSQ-QGZVFWFLSA-N 1 0 359.539 3.620 20 10 FHCDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000310605192 946351516 /nfs/dbraw/zinc/35/15/16/946351516.db2.gz DXFYJVZLJICROU-INIZCTEOSA-N 1 0 352.450 3.704 20 10 FHCDRO CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000840883533 946363223 /nfs/dbraw/zinc/36/32/23/946363223.db2.gz FFNCYFWCJHSNAH-FQEVSTJZSA-N 1 0 372.484 3.599 20 10 FHCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(Br)cc3O)C2)n1 ZINC000897044887 946519871 /nfs/dbraw/zinc/51/98/71/946519871.db2.gz PURYUSSPIAMGBX-ZWNOBZJWSA-N 1 0 366.259 3.526 20 10 FHCDRO Cn1nc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)cc1C1CC1 ZINC000897231185 946976467 /nfs/dbraw/zinc/97/64/67/946976467.db2.gz ATTVVEIBWQMMFD-UHFFFAOYSA-N 1 0 363.461 3.872 20 10 FHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000181890296 947975252 /nfs/dbraw/zinc/97/52/52/947975252.db2.gz OJFGHFALAYINJP-LBPRGKRZSA-N 1 0 370.840 3.680 20 10 FHCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)c2cccc(O)c2)c1O ZINC000105461265 948038085 /nfs/dbraw/zinc/03/80/85/948038085.db2.gz QQFWGMMFGBCZQX-JTQLQIEISA-N 1 0 352.228 3.720 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CCCCC1 ZINC000826511119 608496683 /nfs/dbraw/zinc/49/66/83/608496683.db2.gz COVHOJUVAQJJHB-UHFFFAOYSA-N 1 0 369.494 3.969 20 10 FHCDRO COCCOc1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160174183 927088289 /nfs/dbraw/zinc/08/82/89/927088289.db2.gz XUYOUJACJNMVLZ-NRFANRHFSA-N 1 0 371.477 3.599 20 10 FHCDRO CC(C)C[C@@H](C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001266258935 927203214 /nfs/dbraw/zinc/20/32/14/927203214.db2.gz LKCSIOUUZBJPCY-LJQANCHMSA-N 1 0 371.569 3.907 20 10 FHCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000274656010 927370215 /nfs/dbraw/zinc/37/02/15/927370215.db2.gz VVINRDJJQNHEGC-BBWFWOEESA-N 1 0 357.473 3.994 20 10 FHCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274827514 928828943 /nfs/dbraw/zinc/82/89/43/928828943.db2.gz UDAURQUQCBCBQN-UHFFFAOYSA-N 1 0 362.477 3.853 20 10 FHCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000382441312 929675372 /nfs/dbraw/zinc/67/53/72/929675372.db2.gz FPYJWMBCPZLRCG-STQMWFEESA-N 1 0 354.878 3.829 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000471484521 929933363 /nfs/dbraw/zinc/93/33/63/929933363.db2.gz RGITZXRDQZRZJC-UHFFFAOYSA-N 1 0 356.514 3.595 20 10 FHCDRO CSc1ccc(Cl)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426199 930948783 /nfs/dbraw/zinc/94/87/83/930948783.db2.gz BDCIRXCMJMTWGT-UHFFFAOYSA-N 1 0 362.930 3.821 20 10 FHCDRO COc1cc2cc[nH]c2cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434467 931142346 /nfs/dbraw/zinc/14/23/46/931142346.db2.gz LIJXQMQAMHISMA-UHFFFAOYSA-N 1 0 350.466 3.540 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cncc4c(F)cccc34)cc2)CC1 ZINC001167436879 931265794 /nfs/dbraw/zinc/26/57/94/931265794.db2.gz DSIZLJRFJKHFNI-UHFFFAOYSA-N 1 0 350.441 3.738 20 10 FHCDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)ccc1O ZINC000160895276 932054668 /nfs/dbraw/zinc/05/46/68/932054668.db2.gz VQHQJCHNRJGFRJ-UHFFFAOYSA-N 1 0 362.857 3.905 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000472222337 935587546 /nfs/dbraw/zinc/58/75/46/935587546.db2.gz LQLRFCZJGFFEQJ-QGZVFWFLSA-N 1 0 356.514 3.503 20 10 FHCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176690814 935854698 /nfs/dbraw/zinc/85/46/98/935854698.db2.gz GTQNYNMDXRGVPK-IBGZPJMESA-N 1 0 353.510 3.735 20 10 FHCDRO COc1ccc(N2CCC([NH2+]CCc3ccc(C)c(OC)c3)CC2)cc1 ZINC000161722788 938265605 /nfs/dbraw/zinc/26/56/05/938265605.db2.gz PQUJSHNYOMLNNV-UHFFFAOYSA-N 1 0 354.494 3.813 20 10 FHCDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000278294609 938289925 /nfs/dbraw/zinc/28/99/25/938289925.db2.gz BZIFEQFTHRIGFQ-OKILXGFUSA-N 1 0 361.436 3.572 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(N2CCOCC2)c(F)c1 ZINC000130650470 938426196 /nfs/dbraw/zinc/42/61/96/938426196.db2.gz HTAHSINCUYVQPX-LIRRHRJNSA-N 1 0 356.441 3.706 20 10 FHCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCOCC1 ZINC000157761710 938430196 /nfs/dbraw/zinc/43/01/96/938430196.db2.gz IIQQEBXXSLKZIW-AWEZNQCLSA-N 1 0 354.441 3.662 20 10 FHCDRO COc1ccc(N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000052636361 938458473 /nfs/dbraw/zinc/45/84/73/938458473.db2.gz WMWZLMRQEOSWIG-INIZCTEOSA-N 1 0 364.449 3.628 20 10 FHCDRO CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000255592416 938830322 /nfs/dbraw/zinc/83/03/22/938830322.db2.gz LJTZPFKJBSLVCU-UHFFFAOYSA-N 1 0 365.481 3.992 20 10 FHCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1Br ZINC000179329665 939087782 /nfs/dbraw/zinc/08/77/82/939087782.db2.gz QSZDPNPUMOKXQX-UHFFFAOYSA-N 1 0 364.239 3.908 20 10 FHCDRO Cc1cnc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000375929821 940073204 /nfs/dbraw/zinc/07/32/04/940073204.db2.gz DTKZYIRKUIJUIC-UHFFFAOYSA-N 1 0 357.523 3.668 20 10 FHCDRO CSc1nnc(CCC[NH2+]Cc2cc(C)c(C)cc2O)n1CC(C)C ZINC000177559076 940277016 /nfs/dbraw/zinc/27/70/16/940277016.db2.gz OZHKQZMETBSOLI-UHFFFAOYSA-N 1 0 362.543 3.701 20 10 FHCDRO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000187748879 940327215 /nfs/dbraw/zinc/32/72/15/940327215.db2.gz LLXXGMCXANCNIQ-CYBMUJFWSA-N 1 0 350.434 3.749 20 10 FHCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177662851 940341939 /nfs/dbraw/zinc/34/19/39/940341939.db2.gz YDWSXDJABNXYCF-LJQANCHMSA-N 1 0 355.526 3.558 20 10 FHCDRO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000376146329 940367857 /nfs/dbraw/zinc/36/78/57/940367857.db2.gz DRELPPNIPLCIRY-UZUQRXQVSA-N 1 0 366.505 3.612 20 10 FHCDRO O=C1OCCC12CC[NH+](Cc1ccc(OCc3ccccc3)cc1O)CC2 ZINC000376340041 940797228 /nfs/dbraw/zinc/79/72/28/940797228.db2.gz JHUUYFBOPSTHSR-UHFFFAOYSA-N 1 0 367.445 3.500 20 10 FHCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1O ZINC000376506488 941095577 /nfs/dbraw/zinc/09/55/77/941095577.db2.gz QNZAWWOWIHEAFC-KRWDZBQOSA-N 1 0 362.901 3.577 20 10 FHCDRO Fc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1C(F)F ZINC000892668320 941117237 /nfs/dbraw/zinc/11/72/37/941117237.db2.gz KRMUTLTWFLCENE-UHFFFAOYSA-N 1 0 350.384 3.890 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000066699762 941222649 /nfs/dbraw/zinc/22/26/49/941222649.db2.gz DZLYSVMYXJFIHV-GOSISDBHSA-N 1 0 361.530 3.968 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000066699761 941222728 /nfs/dbraw/zinc/22/27/28/941222728.db2.gz DZLYSVMYXJFIHV-SFHVURJKSA-N 1 0 361.530 3.968 20 10 FHCDRO COc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)c(O)c1OC ZINC000892864990 941629763 /nfs/dbraw/zinc/62/97/63/941629763.db2.gz FWLFKPVIHQJULP-LJQANCHMSA-N 1 0 370.493 3.726 20 10 FHCDRO COc1ccc(C[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c(O)c1OC ZINC000893004578 941872645 /nfs/dbraw/zinc/87/26/45/941872645.db2.gz WIZZBGOGWPGCKC-CYBMUJFWSA-N 1 0 372.248 3.539 20 10 FHCDRO O=C(NC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1)Oc1ccccc1 ZINC000066795952 941887063 /nfs/dbraw/zinc/88/70/63/941887063.db2.gz JRKCACBNWFVOPJ-UHFFFAOYSA-N 1 0 366.461 3.634 20 10 FHCDRO CC[C@@H](c1ccccc1O)[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377689580 941903945 /nfs/dbraw/zinc/90/39/45/941903945.db2.gz BKCKSSDFGXBBBX-NBHGPNQESA-N 1 0 356.514 3.592 20 10 FHCDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015704 942117579 /nfs/dbraw/zinc/11/75/79/942117579.db2.gz GMSMZEYFWVMUAO-LPHOPBHVSA-N 1 0 374.912 3.987 20 10 FHCDRO OC1CCN(c2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2F)CC1 ZINC000280449256 942182338 /nfs/dbraw/zinc/18/23/38/942182338.db2.gz DHLZAHOXRMLLLP-QFIPXVFZSA-N 1 0 369.484 3.813 20 10 FHCDRO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571584 942245748 /nfs/dbraw/zinc/24/57/48/942245748.db2.gz HIENBTIAQBUZFX-IBGZPJMESA-N 1 0 365.521 3.814 20 10 FHCDRO Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000378334870 942611289 /nfs/dbraw/zinc/61/12/89/942611289.db2.gz NQDWSSLBTJCPKO-UHFFFAOYSA-N 1 0 359.857 3.600 20 10 FHCDRO Nc1ccc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312120458 942630130 /nfs/dbraw/zinc/63/01/30/942630130.db2.gz UURXXLIVVJYILU-GOSISDBHSA-N 1 0 352.482 3.693 20 10 FHCDRO Oc1ccc(F)cc1C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000378488386 942815968 /nfs/dbraw/zinc/81/59/68/942815968.db2.gz ALMHAUJOMVYJLM-QGZVFWFLSA-N 1 0 370.472 3.619 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c(O)c1C ZINC000273409015 942950555 /nfs/dbraw/zinc/95/05/55/942950555.db2.gz PEAABJWSFBAKGM-OXQOHEQNSA-N 1 0 368.477 3.977 20 10 FHCDRO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc2ccccc2c1O ZINC000273558450 942985226 /nfs/dbraw/zinc/98/52/26/942985226.db2.gz HKMRTDSTXCVCTK-KRWDZBQOSA-N 1 0 354.494 3.841 20 10 FHCDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000272514631 943169483 /nfs/dbraw/zinc/16/94/83/943169483.db2.gz GXVMFPWURAOPTR-MAUKXSAKSA-N 1 0 362.445 3.684 20 10 FHCDRO CCN(CC(F)F)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436023774 943945455 /nfs/dbraw/zinc/94/54/55/943945455.db2.gz WZYPEJBDNATNSE-UHFFFAOYSA-N 1 0 363.452 3.521 20 10 FHCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1O ZINC000162537207 944014873 /nfs/dbraw/zinc/01/48/73/944014873.db2.gz BRACAKMXRBLUAR-QGZVFWFLSA-N 1 0 355.434 3.899 20 10 FHCDRO CC(=O)c1cc(F)cc(CN2CCC(c3noc(C(C)C)n3)CC2)c1O ZINC000364218495 944081893 /nfs/dbraw/zinc/08/18/93/944081893.db2.gz QUHSYOMVTKAYQE-UHFFFAOYSA-N 1 0 361.417 3.620 20 10 FHCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000291180369 944175621 /nfs/dbraw/zinc/17/56/21/944175621.db2.gz KODLMCNREUFCPN-JOCHJYFZSA-N 1 0 366.505 3.768 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c1 ZINC000311299884 944535597 /nfs/dbraw/zinc/53/55/97/944535597.db2.gz JJKGVSUUJZNAHF-LSDHHAIUSA-N 1 0 366.502 3.991 20 10 FHCDRO COC(=O)c1c(C[NH2+]C[C@H](C)c2c(C)noc2C)c2cc(F)ccc2n1C ZINC000894354307 944573263 /nfs/dbraw/zinc/57/32/63/944573263.db2.gz KZVFTKWPGMNJHO-NSHDSACASA-N 1 0 373.428 3.602 20 10 FHCDRO COC(=O)c1[nH]c2ccccc2c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000894783428 944610491 /nfs/dbraw/zinc/61/04/91/944610491.db2.gz ULTQUGZOEHZLER-GFCCVEGCSA-N 1 0 354.406 3.520 20 10 FHCDRO C[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC1(O)CCC1 ZINC000759876097 944685078 /nfs/dbraw/zinc/68/50/78/944685078.db2.gz IOSFXSPHTXLKRX-UHFFFAOYSA-N 1 0 352.438 3.887 20 10 FHCDRO COc1cc(N2CC[NH+](C[C@@H]3CCC[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000759879059 944702432 /nfs/dbraw/zinc/70/24/32/944702432.db2.gz RFUGJZJCMKGFLM-IAGOWNOFSA-N 1 0 362.514 3.661 20 10 FHCDRO CCC(C)(C)CC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759878786 944702780 /nfs/dbraw/zinc/70/27/80/944702780.db2.gz NDGBQUNGMNNBCO-UHFFFAOYSA-N 1 0 350.503 3.661 20 10 FHCDRO COc1cc(N2CC[NH+](Cc3cc(C)ccc3C)CC2)cc(OC)c1OC ZINC000759880169 944714741 /nfs/dbraw/zinc/71/47/41/944714741.db2.gz YFLKHXLCHBZRGT-UHFFFAOYSA-N 1 0 370.493 3.651 20 10 FHCDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1O ZINC000195140558 944812513 /nfs/dbraw/zinc/81/25/13/944812513.db2.gz WNTKORCFMQGXGR-WDEREUQCSA-N 1 0 373.291 3.719 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)c1O ZINC000894855853 945443433 /nfs/dbraw/zinc/44/34/33/945443433.db2.gz UMXRVMHNFFPJBV-OAHLLOKOSA-N 1 0 370.449 3.907 20 10 FHCDRO OC1CCN(c2ccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)cc2F)CC1 ZINC000281351008 945600501 /nfs/dbraw/zinc/60/05/01/945600501.db2.gz VKADQWUMDFQILS-NRFANRHFSA-N 1 0 373.447 3.562 20 10 FHCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662818478 946058186 /nfs/dbraw/zinc/05/81/86/946058186.db2.gz YTTRAJHSZLPWLT-SFHVURJKSA-N 1 0 364.489 3.816 20 10 FHCDRO C[C@@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC000237293475 946540026 /nfs/dbraw/zinc/54/00/26/946540026.db2.gz PYXNWNBCRITDIA-SFHVURJKSA-N 1 0 357.542 3.661 20 10 FHCDRO COc1ccc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)c(OC)c1OC ZINC000840888409 946567705 /nfs/dbraw/zinc/56/77/05/946567705.db2.gz IUOSZJCGYFVCNG-UHFFFAOYSA-N 1 0 365.857 3.712 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C=C3CCC(C)CC3)cc2F)CC1 ZINC000303579867 946625960 /nfs/dbraw/zinc/62/59/60/946625960.db2.gz ONSOQKRUIKTZSE-UHFFFAOYSA-N 1 0 373.516 3.720 20 10 FHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000475199195 946710595 /nfs/dbraw/zinc/71/05/95/946710595.db2.gz STXLCFTWKJDUDZ-GFCCVEGCSA-N 1 0 361.287 3.624 20 10 FHCDRO COc1cc(O)c(C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1OC ZINC000160382935 946902320 /nfs/dbraw/zinc/90/23/20/946902320.db2.gz PCMVCGJVAPLRPW-UHFFFAOYSA-N 1 0 356.466 3.510 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNc3nc4ccccc4o3)cc2F)CC1 ZINC000301173284 947215593 /nfs/dbraw/zinc/21/55/93/947215593.db2.gz FFZBLXHWVFQOSI-UHFFFAOYSA-N 1 0 354.429 3.721 20 10 FHCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1O ZINC000760034193 947575876 /nfs/dbraw/zinc/57/58/76/947575876.db2.gz LTOVLLBKXIBBPW-HIFRSBDPSA-N 1 0 364.283 3.657 20 10 FHCDRO CCOc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1F ZINC000106244158 948111632 /nfs/dbraw/zinc/11/16/32/948111632.db2.gz NMTMRGWEFOEXPU-UHFFFAOYSA-N 1 0 354.219 3.982 20 10 FHCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccccc1O ZINC000760040353 948298594 /nfs/dbraw/zinc/29/85/94/948298594.db2.gz JLMJYWLKHDBTBH-HIFRSBDPSA-N 1 0 364.283 3.657 20 10 FHCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000237218825 948561238 /nfs/dbraw/zinc/56/12/38/948561238.db2.gz HRUVBYJISMOPAE-QFIPXVFZSA-N 1 0 351.494 3.509 20 10 FHCDRO CC[C@H]([NH2+]Cc1cccc(CO)c1)c1cc(Br)ccc1O ZINC000185210596 567821912 /nfs/dbraw/zinc/82/19/12/567821912.db2.gz VMSUSUYPIIKWMG-INIZCTEOSA-N 1 0 350.256 3.888 20 10 FHCDRO O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000740097554 600428246 /nfs/dbraw/zinc/42/82/46/600428246.db2.gz LJUHHDHAMJDXBU-KRWDZBQOSA-N 1 0 368.477 3.694 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821164477 607085895 /nfs/dbraw/zinc/08/58/95/607085895.db2.gz DSSQWWXDAINWAD-HUUCEWRRSA-N 1 0 350.470 3.735 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000825415854 609133357 /nfs/dbraw/zinc/13/33/57/609133357.db2.gz DQUTXBIBGBEYNH-CQSZACIVSA-N 1 0 368.460 3.703 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000825417590 609328273 /nfs/dbraw/zinc/32/82/73/609328273.db2.gz RVLBXAVPQAOEMD-AWEZNQCLSA-N 1 0 368.460 3.703 20 10 FHCDRO Oc1ccccc1C[N@@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCCO1 ZINC000160188384 927161733 /nfs/dbraw/zinc/16/17/33/927161733.db2.gz RWICWZKVPQLTRS-HXUWFJFHSA-N 1 0 351.446 3.849 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248051922 937202403 /nfs/dbraw/zinc/20/24/03/937202403.db2.gz NVSRKFJRVCBHJE-FPOVZHCZSA-N 1 0 367.493 3.759 20 10 FHCDRO [O-]c1cc(F)c(F)cc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001279106004 928358364 /nfs/dbraw/zinc/35/83/64/928358364.db2.gz GQDIILKDTHVTLI-VQTJNVASSA-N 1 0 361.436 3.723 20 10 FHCDRO COC(=O)c1cc2ccccc2c(CN2CCC[N@@H+](C(C)(C)C)CC2)c1O ZINC000748083023 928697565 /nfs/dbraw/zinc/69/75/65/928697565.db2.gz PQGKXAKMWYFAED-UHFFFAOYSA-N 1 0 370.493 3.638 20 10 FHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CCS(C)(=O)=O)cc1 ZINC000134593194 929084469 /nfs/dbraw/zinc/08/44/69/929084469.db2.gz YQUQBXILYWRMMI-SFHVURJKSA-N 1 0 374.550 3.626 20 10 FHCDRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000154700581 929212877 /nfs/dbraw/zinc/21/28/77/929212877.db2.gz SNAREYVNVWJBCR-SQJMNOBHSA-N 1 0 356.535 3.886 20 10 FHCDRO COCCC[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001209055877 929218373 /nfs/dbraw/zinc/21/83/73/929218373.db2.gz HXZYKAPNRWSHHC-UHFFFAOYSA-N 1 0 351.450 3.653 20 10 FHCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000176680017 937361368 /nfs/dbraw/zinc/36/13/68/937361368.db2.gz CRUOHCHBPWGBEV-AWEZNQCLSA-N 1 0 366.383 3.634 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796675333 929995150 /nfs/dbraw/zinc/99/51/50/929995150.db2.gz MIKYDIPDQUIJRN-OAHLLOKOSA-N 1 0 370.497 3.767 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000471498272 930029193 /nfs/dbraw/zinc/02/91/93/930029193.db2.gz YGYZOEROZPOCEC-GOSISDBHSA-N 1 0 370.522 3.650 20 10 FHCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382444385 930080407 /nfs/dbraw/zinc/08/04/07/930080407.db2.gz IIFKSWMUULNYRF-GOEBONIOSA-N 1 0 364.486 3.574 20 10 FHCDRO Cc1cc(C(F)F)oc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245267 930517639 /nfs/dbraw/zinc/51/76/39/930517639.db2.gz BPXOVMZHHBURKO-HNNXBMFYSA-N 1 0 365.424 3.624 20 10 FHCDRO CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1cc(Br)ccc1O ZINC000050182508 930575596 /nfs/dbraw/zinc/57/55/96/930575596.db2.gz NQUVIBYDJIWBRL-OAHLLOKOSA-N 1 0 352.276 3.860 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000471599612 930902128 /nfs/dbraw/zinc/90/21/28/930902128.db2.gz UQUDSYAPALSVNQ-KRWDZBQOSA-N 1 0 370.541 3.941 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc4nc(Cl)ccc4[nH]3)cc2)CC1 ZINC001167426885 930949906 /nfs/dbraw/zinc/94/99/06/930949906.db2.gz MXFJZWXYYOUYSJ-UHFFFAOYSA-N 1 0 355.873 3.580 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc(F)c4cnccc34)cc2)CC1 ZINC001167434117 931137803 /nfs/dbraw/zinc/13/78/03/931137803.db2.gz CKOWUWIWEHDHKL-UHFFFAOYSA-N 1 0 350.441 3.738 20 10 FHCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnc1OC(C)C ZINC001167436906 931266643 /nfs/dbraw/zinc/26/66/43/931266643.db2.gz GIYROGGSAKHEFK-UHFFFAOYSA-N 1 0 354.498 3.541 20 10 FHCDRO COc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc12 ZINC001167437107 931281300 /nfs/dbraw/zinc/28/13/00/931281300.db2.gz KXHJVYUXRNSOCP-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000588404475 931741791 /nfs/dbraw/zinc/74/17/91/931741791.db2.gz ROAYXHNABBOVHU-NTMALXAHSA-N 1 0 352.434 3.736 20 10 FHCDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000067247397 931764700 /nfs/dbraw/zinc/76/47/00/931764700.db2.gz PTRCWLVXZLYCKJ-HRAATJIYSA-N 1 0 354.494 3.902 20 10 FHCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)s1 ZINC000050924210 931856410 /nfs/dbraw/zinc/85/64/10/931856410.db2.gz RDEKKCLJGUVVGZ-UHFFFAOYSA-N 1 0 358.507 3.773 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccco1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891395277 932051848 /nfs/dbraw/zinc/05/18/48/932051848.db2.gz XEAFIMXCMSLCRX-ROUUACIJSA-N 1 0 361.413 3.621 20 10 FHCDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(F)F)c1cc(Br)ccc1O ZINC000834874000 932126081 /nfs/dbraw/zinc/12/60/81/932126081.db2.gz ABIHSHPEZJVCKO-GMXVVIOVSA-N 1 0 352.219 3.600 20 10 FHCDRO COc1ccc(C)cc1CN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000023854108 932250509 /nfs/dbraw/zinc/25/05/09/932250509.db2.gz FEUDJAQUYSHSOQ-UHFFFAOYSA-N 1 0 354.494 3.644 20 10 FHCDRO CCOC(CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O)OCC ZINC000276464741 932460921 /nfs/dbraw/zinc/46/09/21/932460921.db2.gz CTFAZWDYUBLSCL-GFCCVEGCSA-N 1 0 360.292 3.903 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277108392 934493173 /nfs/dbraw/zinc/49/31/73/934493173.db2.gz MHXWAIDFODMEFX-SCLBCKFNSA-N 1 0 353.422 3.727 20 10 FHCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000176675846 935768164 /nfs/dbraw/zinc/76/81/64/935768164.db2.gz SBKUBWWOOSZVIO-GOSISDBHSA-N 1 0 352.478 3.968 20 10 FHCDRO CCOc1cccc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c1O ZINC000277663404 935791569 /nfs/dbraw/zinc/79/15/69/935791569.db2.gz OEVQHMPBFKVIKJ-KRWDZBQOSA-N 1 0 353.422 3.556 20 10 FHCDRO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c(C)n1-c1ccccn1 ZINC000152676628 935809576 /nfs/dbraw/zinc/80/95/76/935809576.db2.gz RUKCIERAQFUEAC-INIZCTEOSA-N 1 0 366.509 3.578 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000472231360 935842084 /nfs/dbraw/zinc/84/20/84/935842084.db2.gz ISYKQGAOYDZNKM-UHFFFAOYSA-N 1 0 368.525 3.504 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@H]1CCOC1 ZINC000152951001 935919174 /nfs/dbraw/zinc/91/91/74/935919174.db2.gz KSJMEODKHCSBRU-KGLIPLIRSA-N 1 0 358.404 3.569 20 10 FHCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C1CCOCC1 ZINC000152958588 935921176 /nfs/dbraw/zinc/92/11/76/935921176.db2.gz VHFFDRKROIUDKL-AWEZNQCLSA-N 1 0 372.431 3.959 20 10 FHCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000052465933 938320048 /nfs/dbraw/zinc/32/00/48/938320048.db2.gz LAQJQQYCAOTKCL-SFHVURJKSA-N 1 0 367.493 3.543 20 10 FHCDRO Cc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1Cl ZINC000588595753 938699028 /nfs/dbraw/zinc/69/90/28/938699028.db2.gz CVNIXQXKZZEKLP-XNTDXEJSSA-N 1 0 366.939 3.944 20 10 FHCDRO COc1ccc(CNc2cc(C[NH+]3CCCC3)ccc2C)c(O)c1OC ZINC000892395143 938990261 /nfs/dbraw/zinc/99/02/61/938990261.db2.gz ADWYHRZPGOGADL-UHFFFAOYSA-N 1 0 356.466 3.926 20 10 FHCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000177263914 940064215 /nfs/dbraw/zinc/06/42/15/940064215.db2.gz NJZUKGIYGLKKIB-KRWDZBQOSA-N 1 0 350.890 3.699 20 10 FHCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1)CC(F)(F)F ZINC000177636513 940330837 /nfs/dbraw/zinc/33/08/37/940330837.db2.gz FMAYFSYSRBUNEC-AWEZNQCLSA-N 1 0 356.432 3.587 20 10 FHCDRO CSCC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000164225974 945316607 /nfs/dbraw/zinc/31/66/07/945316607.db2.gz CTMOQJCJKFEXIV-CRAIPNDOSA-N 1 0 369.538 3.940 20 10 FHCDRO CC[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000177964152 940493626 /nfs/dbraw/zinc/49/36/26/940493626.db2.gz PGJAMEIBRVGKTD-OAQYLSRUSA-N 1 0 353.510 3.830 20 10 FHCDRO CC[N@H+](CCc1csc(C)n1)Cc1cc(Br)ccc1O ZINC000124772434 945327318 /nfs/dbraw/zinc/32/73/18/945327318.db2.gz IMVRLZNRINWTBF-UHFFFAOYSA-N 1 0 355.301 3.984 20 10 FHCDRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000178170537 940741997 /nfs/dbraw/zinc/74/19/97/940741997.db2.gz PQFKWEYJZYDJQE-IBGZPJMESA-N 1 0 359.901 3.877 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)c(O)c1OC ZINC000892805119 941572913 /nfs/dbraw/zinc/57/29/13/941572913.db2.gz DUFDPGBRLFVFGP-UHFFFAOYSA-N 1 0 372.465 3.806 20 10 FHCDRO CC[C@H](c1ccccc1O)[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000377640512 941864736 /nfs/dbraw/zinc/86/47/36/941864736.db2.gz BKJSAUPZHGITTB-OAQYLSRUSA-N 1 0 353.510 3.877 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](N(C)Cc3ccccn3)CC2)c1 ZINC000377705663 941915879 /nfs/dbraw/zinc/91/58/79/941915879.db2.gz XSMCPAAADSBTFT-MJGOQNOKSA-N 1 0 369.509 3.843 20 10 FHCDRO Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@H](C)C2)s1 ZINC000377790476 941990357 /nfs/dbraw/zinc/99/03/57/941990357.db2.gz KJALLWDNRCNFJU-FOIQADDNSA-N 1 0 358.555 3.518 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c(O)c1OC ZINC000893093060 942018949 /nfs/dbraw/zinc/01/89/49/942018949.db2.gz UAYNTKXRLTVSIQ-UHFFFAOYSA-N 1 0 373.449 3.655 20 10 FHCDRO COc1ccc(O)c(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000179787045 942284101 /nfs/dbraw/zinc/28/41/01/942284101.db2.gz YWZBMNYTCRBUAW-UHFFFAOYSA-N 1 0 351.450 3.856 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)c1O ZINC000894245567 942378962 /nfs/dbraw/zinc/37/89/62/942378962.db2.gz CSWXHQDBABDTQY-UHFFFAOYSA-N 1 0 355.482 3.774 20 10 FHCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000261815239 942556587 /nfs/dbraw/zinc/55/65/87/942556587.db2.gz NPUPRCLTRADSSY-CALCHBBNSA-N 1 0 371.912 3.819 20 10 FHCDRO CN1CCCc2cc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000181628396 942584960 /nfs/dbraw/zinc/58/49/60/942584960.db2.gz OGGHQAYIJNIJAB-UHFFFAOYSA-N 1 0 374.532 3.695 20 10 FHCDRO COc1cc(Br)cc(C[N@@H+]2CCCC3(CCOCC3)C2)c1O ZINC000378341566 942618152 /nfs/dbraw/zinc/61/81/52/942618152.db2.gz LJRLQPWVSJWVML-UHFFFAOYSA-N 1 0 370.287 3.556 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000363852493 942843198 /nfs/dbraw/zinc/84/31/98/942843198.db2.gz JMRGJNYGAHHIGF-OAHLLOKOSA-N 1 0 360.498 3.623 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(Br)cc1O ZINC000363850557 942844020 /nfs/dbraw/zinc/84/40/20/942844020.db2.gz HPPWUMSGGRBNFH-LBPRGKRZSA-N 1 0 373.254 3.586 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)c(O)c1 ZINC000363853949 942856640 /nfs/dbraw/zinc/85/66/40/942856640.db2.gz LGWLJUZOHDJUMN-FUHWJXTLSA-N 1 0 362.477 3.549 20 10 FHCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273349452 942937525 /nfs/dbraw/zinc/93/75/25/942937525.db2.gz BKCARQDCSNBTRM-KNXALSJPSA-N 1 0 373.324 3.727 20 10 FHCDRO CCOCCOCc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000273429320 942955545 /nfs/dbraw/zinc/95/55/45/942955545.db2.gz VFTFLXWQRWCWPS-MRXNPFEDSA-N 1 0 359.466 3.805 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1C ZINC000273489306 942968968 /nfs/dbraw/zinc/96/89/68/942968968.db2.gz NWEUOTZZLRYLBS-PKOBYXMFSA-N 1 0 352.478 3.708 20 10 FHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000273742979 943026656 /nfs/dbraw/zinc/02/66/56/943026656.db2.gz MDZZMUHDJPFYFG-RULNZOCKSA-N 1 0 353.871 3.642 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c(O)c1 ZINC000760017133 943088784 /nfs/dbraw/zinc/08/87/84/943088784.db2.gz LBPNAVFSUBEKTA-IEBWSBKVSA-N 1 0 356.535 3.969 20 10 FHCDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)N2CCOCC2)cc1 ZINC000185081580 943094109 /nfs/dbraw/zinc/09/41/09/943094109.db2.gz RSSGSCTZMAAQAB-OXQOHEQNSA-N 1 0 358.457 3.564 20 10 FHCDRO CC(C)N(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CC1 ZINC000435513692 943454011 /nfs/dbraw/zinc/45/40/11/943454011.db2.gz FIXRDYOJZSNAQE-UHFFFAOYSA-N 1 0 353.510 3.807 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2C)C1 ZINC000435638933 943522437 /nfs/dbraw/zinc/52/24/37/943522437.db2.gz SASXGEGNBZJDCC-QGZVFWFLSA-N 1 0 353.510 3.809 20 10 FHCDRO C[NH2+]CCc1ccccc1C(=O)N1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC000424057195 943693757 /nfs/dbraw/zinc/69/37/57/943693757.db2.gz XSLSQFAVQQSBIE-LJQANCHMSA-N 1 0 366.505 3.932 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000435814492 943771376 /nfs/dbraw/zinc/77/13/76/943771376.db2.gz WCUKKCJRLWFBEA-HDICACEKSA-N 1 0 365.521 3.666 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccccn3)no2)C1 ZINC000584864527 943811287 /nfs/dbraw/zinc/81/12/87/943811287.db2.gz SUPXNVLXOQWGBO-UHFFFAOYSA-N 1 0 373.460 3.901 20 10 FHCDRO Cc1cc(Br)c(O)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000781902274 944010426 /nfs/dbraw/zinc/01/04/26/944010426.db2.gz PRIRDTSPUYDJRA-HNNXBMFYSA-N 1 0 353.304 3.523 20 10 FHCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000162660540 944425788 /nfs/dbraw/zinc/42/57/88/944425788.db2.gz MCVXGQBXGZJTJG-UHFFFAOYSA-N 1 0 357.542 3.757 20 10 FHCDRO CC[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1O ZINC000364356397 944452988 /nfs/dbraw/zinc/45/29/88/944452988.db2.gz QQIJMWCGPNTFET-FUHWJXTLSA-N 1 0 366.440 3.846 20 10 FHCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1C ZINC000709414184 944532558 /nfs/dbraw/zinc/53/25/58/944532558.db2.gz YQENCDSVIUXVPL-BZSNNMDCSA-N 1 0 360.498 3.881 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCC2CC2)C1 ZINC000517831120 944699091 /nfs/dbraw/zinc/69/90/91/944699091.db2.gz GHYYTRNBEYUJNR-UHFFFAOYSA-N 1 0 353.510 3.714 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000281744447 945826103 /nfs/dbraw/zinc/82/61/03/945826103.db2.gz VRGIHDPOQTUCRG-CYBMUJFWSA-N 1 0 353.388 3.940 20 10 FHCDRO COc1ccc(N2CC[NH+](C[C@H]3CC[C@@H](c4ccccc4)O3)CC2)cc1F ZINC001168066535 945936547 /nfs/dbraw/zinc/93/65/47/945936547.db2.gz AESBKHXPQDNHKF-CTNGQTDRSA-N 1 0 370.468 3.877 20 10 FHCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662818477 946057405 /nfs/dbraw/zinc/05/74/05/946057405.db2.gz YTTRAJHSZLPWLT-GOSISDBHSA-N 1 0 364.489 3.816 20 10 FHCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cc2ccccc2o1 ZINC000181768855 946062653 /nfs/dbraw/zinc/06/26/53/946062653.db2.gz BTWOIOVLEICONJ-INIZCTEOSA-N 1 0 365.477 3.808 20 10 FHCDRO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1cc(Br)ccc1O ZINC000756758388 946517769 /nfs/dbraw/zinc/51/77/69/946517769.db2.gz DQEKEFRCHWZLGU-JTQLQIEISA-N 1 0 371.662 3.933 20 10 FHCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000303580835 946626569 /nfs/dbraw/zinc/62/65/69/946626569.db2.gz OVNNFHDTXRALKL-JOCHJYFZSA-N 1 0 355.526 3.533 20 10 FHCDRO CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)Cc1ccc(N)cc1 ZINC000167766396 946648388 /nfs/dbraw/zinc/64/83/88/946648388.db2.gz PBRYXGYWPNVAFF-UHFFFAOYSA-N 1 0 365.521 3.572 20 10 FHCDRO COc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc2c1OCCO2 ZINC000475192975 946664248 /nfs/dbraw/zinc/66/42/48/946664248.db2.gz HYNUCHRADALWRR-UHFFFAOYSA-N 1 0 352.434 3.556 20 10 FHCDRO CN(Cc1ccc(N2CCOCC2)cc1)c1cc[nH+]c2cc(F)ccc21 ZINC000301297750 947272258 /nfs/dbraw/zinc/27/22/58/947272258.db2.gz WFCOUPOAXKGEEE-UHFFFAOYSA-N 1 0 351.425 3.847 20 10 FHCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000760038545 948110896 /nfs/dbraw/zinc/11/08/96/948110896.db2.gz CEXFPYXERNGVDR-XZVASYGPSA-N 1 0 359.416 3.975 20 10 FHCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCC1 ZINC000759968531 948319063 /nfs/dbraw/zinc/31/90/63/948319063.db2.gz GMGHKQRNEABJQA-ULQDDVLXSA-N 1 0 364.505 3.877 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)c1O ZINC000895087956 948371103 /nfs/dbraw/zinc/37/11/03/948371103.db2.gz YIAAMUSSUZKQEL-NRFANRHFSA-N 1 0 353.462 3.869 20 10 FHCDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000023382687 136152794 /nfs/dbraw/zinc/15/27/94/136152794.db2.gz BFIIPVUPQSMWDG-UHFFFAOYSA-N 1 0 363.417 3.776 20 10 FHCDRO O=C([O-])c1cc2ccccc2c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1O ZINC000740096682 600423583 /nfs/dbraw/zinc/42/35/83/600423583.db2.gz KVRWFIDYECQVSJ-UHFFFAOYSA-N 1 0 368.477 3.551 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821164411 607084269 /nfs/dbraw/zinc/08/42/69/607084269.db2.gz DSSQWWXDAINWAD-CABCVRRESA-N 1 0 350.470 3.735 20 10 FHCDRO CC[N@H+](Cc1cc(Cl)ccc1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428357 608549828 /nfs/dbraw/zinc/54/98/28/608549828.db2.gz KMPJGZSMYRRMAG-LBPRGKRZSA-N 1 0 357.845 3.809 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1cccc2c1OCCCO2)C[C@@H]1CCCO1 ZINC000160168944 927073583 /nfs/dbraw/zinc/07/35/83/927073583.db2.gz NXDHLJICIYVROL-IBGZPJMESA-N 1 0 369.461 3.735 20 10 FHCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000160178500 927105893 /nfs/dbraw/zinc/10/58/93/927105893.db2.gz DZSMDJOGUFOXMS-SFHVURJKSA-N 1 0 356.422 3.790 20 10 FHCDRO COc1ccc2oc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2c1 ZINC000124193027 937216990 /nfs/dbraw/zinc/21/69/90/937216990.db2.gz SFGBIAZTZNHOQD-UHFFFAOYSA-N 1 0 352.434 3.568 20 10 FHCDRO CC[C@@H]([NH2+]CCCc1nc(C)no1)c1cc(Br)ccc1O ZINC000274958505 929077536 /nfs/dbraw/zinc/07/75/36/929077536.db2.gz WEKOXBRLUJWUOH-CYBMUJFWSA-N 1 0 354.248 3.520 20 10 FHCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330253 929927057 /nfs/dbraw/zinc/92/70/57/929927057.db2.gz ZJMKRRUJVNOARO-MSOLQXFVSA-N 1 0 356.432 3.873 20 10 FHCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@@H]3CCCCO3)CC1)CCCC2 ZINC000160368293 930222941 /nfs/dbraw/zinc/22/29/41/930222941.db2.gz ZCQJOLWYSZBDRN-NRFANRHFSA-N 1 0 359.510 3.821 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C ZINC000048744892 930490411 /nfs/dbraw/zinc/49/04/11/930490411.db2.gz OECBMQXSSXZRNP-INIZCTEOSA-N 1 0 368.477 3.512 20 10 FHCDRO CSc1ccsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254255 930551688 /nfs/dbraw/zinc/55/16/88/930551688.db2.gz XXXKDWWFANZWFN-HNNXBMFYSA-N 1 0 363.552 3.569 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ncncc3-c3ccccc3)cc2)CC1 ZINC001167426558 930949959 /nfs/dbraw/zinc/94/99/59/930949959.db2.gz JTXFQKMUPXKIOP-UHFFFAOYSA-N 1 0 359.477 3.508 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ncnc4cccc(Cl)c43)cc2)CC1 ZINC001167426934 930950655 /nfs/dbraw/zinc/95/06/55/930950655.db2.gz PDDCIHHPHDHIGV-UHFFFAOYSA-N 1 0 367.884 3.647 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)nc4cnccc43)cc2)CC1 ZINC001167431008 931030841 /nfs/dbraw/zinc/03/08/41/931030841.db2.gz BCZUTIPSMKSFPQ-UHFFFAOYSA-N 1 0 367.884 3.647 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)nc4cccnc43)cc2)CC1 ZINC001167431296 931045866 /nfs/dbraw/zinc/04/58/66/931045866.db2.gz QQUSEABXKIWWNW-UHFFFAOYSA-N 1 0 367.884 3.647 20 10 FHCDRO CC(C)[S@@](=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001167434319 931141327 /nfs/dbraw/zinc/14/13/27/931141327.db2.gz IWUYGTCEFOLXSD-AREMUKBSSA-N 1 0 371.550 3.567 20 10 FHCDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588407426 931917045 /nfs/dbraw/zinc/91/70/45/931917045.db2.gz FKNQCDSXIDPIEK-QLBOMPFWSA-N 1 0 372.509 3.614 20 10 FHCDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(Br)c1 ZINC001207226535 933016841 /nfs/dbraw/zinc/01/68/41/933016841.db2.gz YTEPHHCZLVSBJS-OAHLLOKOSA-N 1 0 354.219 3.771 20 10 FHCDRO Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(F)c1 ZINC000176171519 934501043 /nfs/dbraw/zinc/50/10/43/934501043.db2.gz GIJQVRHGKVMVIF-UHFFFAOYSA-N 1 0 367.468 3.918 20 10 FHCDRO CC[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1O ZINC000156755310 934938513 /nfs/dbraw/zinc/93/85/13/934938513.db2.gz UDQZVYPUHWAMGZ-HZPDHXFCSA-N 1 0 350.256 3.929 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC000707921710 935126473 /nfs/dbraw/zinc/12/64/73/935126473.db2.gz KNEKUOZJBFVLSJ-LNLFQRSKSA-N 1 0 359.514 3.630 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000472222323 935586696 /nfs/dbraw/zinc/58/66/96/935586696.db2.gz LQLRFCZJGFFEQJ-KRWDZBQOSA-N 1 0 356.514 3.503 20 10 FHCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)C[C@H]1C ZINC000472228387 935771971 /nfs/dbraw/zinc/77/19/71/935771971.db2.gz DNLJGFHUGPTNKI-WBVHZDCISA-N 1 0 356.514 3.501 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000472236591 935886054 /nfs/dbraw/zinc/88/60/54/935886054.db2.gz DLZFVOSJCMHFMJ-UHFFFAOYSA-N 1 0 368.525 3.647 20 10 FHCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000052465931 938319964 /nfs/dbraw/zinc/31/99/64/938319964.db2.gz LAQJQQYCAOTKCL-GOSISDBHSA-N 1 0 367.493 3.543 20 10 FHCDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000162114075 938658867 /nfs/dbraw/zinc/65/88/67/938658867.db2.gz FNJQCGOMOFABGA-INIZCTEOSA-N 1 0 355.438 3.624 20 10 FHCDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(C)cc(OC)c3O)ccc2NC1=O ZINC000894394545 945205532 /nfs/dbraw/zinc/20/55/32/945205532.db2.gz WURUDUDUJCEEEB-GUYCJALGSA-N 1 0 370.449 3.670 20 10 FHCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(O)c1 ZINC000278782092 939011529 /nfs/dbraw/zinc/01/15/29/939011529.db2.gz PRYHQDUSBXCGDS-AWEZNQCLSA-N 1 0 367.453 3.520 20 10 FHCDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC000255725921 939143185 /nfs/dbraw/zinc/14/31/85/939143185.db2.gz PMHBFYFUNZCKAI-XQRVVYSFSA-N 1 0 367.449 3.577 20 10 FHCDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)C1 ZINC000179438338 939160539 /nfs/dbraw/zinc/16/05/39/939160539.db2.gz HEQXFZIYKMEDLO-KRWDZBQOSA-N 1 0 370.537 3.742 20 10 FHCDRO CN(C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC(C)(C)C ZINC000179450004 939164540 /nfs/dbraw/zinc/16/45/40/939164540.db2.gz ZARIXTBGWUOGHK-ZDUSSCGKSA-N 1 0 354.878 3.734 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Br)c(F)cc1[O-] ZINC000756652960 945284128 /nfs/dbraw/zinc/28/41/28/945284128.db2.gz CYDDTMJALDJAFZ-ZOFFQFKGSA-N 1 0 358.251 3.902 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(F)cc2F)SC1=S ZINC000066145147 940302313 /nfs/dbraw/zinc/30/23/13/940302313.db2.gz WTQJBSWPWQUQFS-AUWJEWJLSA-N 1 0 370.490 3.754 20 10 FHCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(N(C)C)cc1 ZINC000376110662 940323591 /nfs/dbraw/zinc/32/35/91/940323591.db2.gz DVAUNULJWMFGAP-XWIAVFTESA-N 1 0 356.470 3.584 20 10 FHCDRO CCN(C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1)CC(F)(F)F ZINC000177636526 940330804 /nfs/dbraw/zinc/33/08/04/940330804.db2.gz FMAYFSYSRBUNEC-CQSZACIVSA-N 1 0 356.432 3.587 20 10 FHCDRO COc1ccc(N2CCC([NH2+]CC[C@@](C)(O)c3ccccc3)CC2)cc1 ZINC000376240839 940508533 /nfs/dbraw/zinc/50/85/33/940508533.db2.gz PNUMOKXMYVPKIC-JOCHJYFZSA-N 1 0 354.494 3.551 20 10 FHCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(OC)c(OC)c1 ZINC000894399464 945356643 /nfs/dbraw/zinc/35/66/43/945356643.db2.gz UFQYKODDVGUCNG-OAHLLOKOSA-N 1 0 361.438 3.668 20 10 FHCDRO C[N@H+](CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1O ZINC000782950258 941327769 /nfs/dbraw/zinc/32/77/69/941327769.db2.gz SZGZFLKFAQNOAZ-UHFFFAOYSA-N 1 0 366.461 3.681 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000376893846 941461426 /nfs/dbraw/zinc/46/14/26/941461426.db2.gz QPDMKVGWGPONLR-UGSOOPFHSA-N 1 0 368.437 3.894 20 10 FHCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)c2ccccc2C1 ZINC000377343631 941657952 /nfs/dbraw/zinc/65/79/52/941657952.db2.gz FIHBAFNVHZOLIC-JOCHJYFZSA-N 1 0 363.505 3.652 20 10 FHCDRO CC[C@H](c1ccccc1O)[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377689579 941904124 /nfs/dbraw/zinc/90/41/24/941904124.db2.gz BKCKSSDFGXBBBX-LDQXTDLNSA-N 1 0 356.514 3.592 20 10 FHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](N(C)Cc3ccccn3)CC2)c1 ZINC000377705667 941915863 /nfs/dbraw/zinc/91/58/63/941915863.db2.gz XSMCPAAADSBTFT-PKOBYXMFSA-N 1 0 369.509 3.843 20 10 FHCDRO C[N@@H+](Cc1cc(F)ccc1O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377917934 942071185 /nfs/dbraw/zinc/07/11/85/942071185.db2.gz KQGNWHLLBNEYBD-UHFFFAOYSA-N 1 0 371.456 3.907 20 10 FHCDRO CC[C@@H]([NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(C)cc1O ZINC000280007354 942085289 /nfs/dbraw/zinc/08/52/89/942085289.db2.gz GLCNWGOJNWIPRO-GOEBONIOSA-N 1 0 351.454 3.991 20 10 FHCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)s1 ZINC000280121802 942106263 /nfs/dbraw/zinc/10/62/63/942106263.db2.gz OHMYUSJDIIUWFV-SNVBAGLBSA-N 1 0 359.900 3.752 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015671 942109698 /nfs/dbraw/zinc/10/96/98/942109698.db2.gz GGEBSKPZLKSQSZ-PZJWPPBQSA-N 1 0 368.521 3.951 20 10 FHCDRO Cc1cc(Cl)cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000179782342 942283364 /nfs/dbraw/zinc/28/33/64/942283364.db2.gz HWIKYOHQJOXAJY-UHFFFAOYSA-N 1 0 350.890 3.579 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)(C)C)c1 ZINC000182364255 942724419 /nfs/dbraw/zinc/72/44/19/942724419.db2.gz LHWOOHNTYQXMIY-INIZCTEOSA-N 1 0 370.493 3.879 20 10 FHCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)cc1 ZINC000363824857 942772538 /nfs/dbraw/zinc/77/25/38/942772538.db2.gz MKEJSWXEJOSTNP-UTKZUKDTSA-N 1 0 368.525 3.594 20 10 FHCDRO Cc1cccc(C[NH+]2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)c1O ZINC000378439658 942773845 /nfs/dbraw/zinc/77/38/45/942773845.db2.gz SPHUJLSBSHFKKS-GOSISDBHSA-N 1 0 366.509 3.788 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)c(O)c1 ZINC000363853952 942856506 /nfs/dbraw/zinc/85/65/06/942856506.db2.gz LGWLJUZOHDJUMN-WMZOPIPTSA-N 1 0 362.477 3.549 20 10 FHCDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)CCC2 ZINC000363860835 942870796 /nfs/dbraw/zinc/87/07/96/942870796.db2.gz HLXHYPTVWBNQSC-QWHCGFSZSA-N 1 0 364.287 3.888 20 10 FHCDRO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000273164596 942900356 /nfs/dbraw/zinc/90/03/56/942900356.db2.gz AOUUOIWNNJBEKF-ZACQAIPSSA-N 1 0 350.478 3.518 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc2ccccc2c1O ZINC000273304940 942928254 /nfs/dbraw/zinc/92/82/54/942928254.db2.gz CLRDVXJQWWKSEL-INIZCTEOSA-N 1 0 363.461 3.628 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000273306043 942928406 /nfs/dbraw/zinc/92/84/06/942928406.db2.gz CVJCCZULDSISLV-CHWSQXEVSA-N 1 0 361.438 3.838 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c(O)c1C ZINC000273374609 942943429 /nfs/dbraw/zinc/94/34/29/942943429.db2.gz GVTFQQUGBNUGGL-SFHVURJKSA-N 1 0 354.494 3.692 20 10 FHCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C)c(C)c3O)CC2)nc(C)n1 ZINC000273603153 942995468 /nfs/dbraw/zinc/99/54/68/942995468.db2.gz SKUNWQIZCCTTKS-INIZCTEOSA-N 1 0 354.498 3.735 20 10 FHCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1O ZINC000273611080 942995919 /nfs/dbraw/zinc/99/59/19/942995919.db2.gz AIVQKVGHIXUEGC-UHFFFAOYSA-N 1 0 365.861 3.940 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)c2)c(O)c1C ZINC000273611415 942995967 /nfs/dbraw/zinc/99/59/67/942995967.db2.gz VZVOERATXHRWOZ-MRXNPFEDSA-N 1 0 356.466 3.813 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(O)c1 ZINC000185118412 943100824 /nfs/dbraw/zinc/10/08/24/943100824.db2.gz VMUFTWFAWMAFDX-OAHLLOKOSA-N 1 0 358.457 3.652 20 10 FHCDRO COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2)cc(OC)c1 ZINC000185681360 943205323 /nfs/dbraw/zinc/20/53/23/943205323.db2.gz IBIMETZRJLDKJI-FUHWJXTLSA-N 1 0 370.493 3.643 20 10 FHCDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000802660648 943259270 /nfs/dbraw/zinc/25/92/70/943259270.db2.gz RZEPYYSYBSCLET-FQEVSTJZSA-N 1 0 364.461 3.754 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc4cccnc34)SC2=S)CC1 ZINC000126477654 943759693 /nfs/dbraw/zinc/75/96/93/943759693.db2.gz HIKNODBSHBXJOE-VBKFSLOCSA-N 1 0 369.515 3.530 20 10 FHCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1O ZINC000162537325 944007557 /nfs/dbraw/zinc/00/75/57/944007557.db2.gz BRACAKMXRBLUAR-KRWDZBQOSA-N 1 0 355.434 3.899 20 10 FHCDRO COCCCOc1cc(C)ccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894349112 944390832 /nfs/dbraw/zinc/39/08/32/944390832.db2.gz BAYVANHIOXJMRL-UHFFFAOYSA-N 1 0 359.466 3.723 20 10 FHCDRO Cc1nc(C)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000123762653 944418575 /nfs/dbraw/zinc/41/85/75/944418575.db2.gz SQOCINMZRGWXJN-INIZCTEOSA-N 1 0 365.930 3.873 20 10 FHCDRO COc1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1 ZINC000053602626 944441246 /nfs/dbraw/zinc/44/12/46/944441246.db2.gz XYVJIFOXMYZOGT-QFIPXVFZSA-N 1 0 352.478 3.773 20 10 FHCDRO COc1cc(N2CC[NH+](C[C@H]3CCC[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000759879066 944702605 /nfs/dbraw/zinc/70/26/05/944702605.db2.gz RFUGJZJCMKGFLM-SJORKVTESA-N 1 0 362.514 3.661 20 10 FHCDRO CC(C)(CO)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838982653 944906138 /nfs/dbraw/zinc/90/61/38/944906138.db2.gz RCRCJIWYOVEMAU-UHFFFAOYSA-N 1 0 355.320 3.548 20 10 FHCDRO CCN(CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)CC(F)(F)F ZINC001167984717 945043574 /nfs/dbraw/zinc/04/35/74/945043574.db2.gz WKWZIOSNJPGVMM-QGZVFWFLSA-N 1 0 374.447 3.648 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280947446 945476697 /nfs/dbraw/zinc/47/66/97/945476697.db2.gz JIBPYVRESRTDDK-IAQYHMDHSA-N 1 0 371.355 3.684 20 10 FHCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000281449903 945636907 /nfs/dbraw/zinc/63/69/07/945636907.db2.gz STAPJPXQCVEFDO-HOTGVXAUSA-N 1 0 374.504 3.815 20 10 FHCDRO c1cncc([C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000800223721 945804855 /nfs/dbraw/zinc/80/48/55/945804855.db2.gz CHDKSZHYZMUFNE-TZIWHRDSSA-N 1 0 351.494 3.734 20 10 FHCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897260961 947058024 /nfs/dbraw/zinc/05/80/24/947058024.db2.gz UDPLMHZHHYKLSR-FQEVSTJZSA-N 1 0 353.462 3.565 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1F ZINC000066969998 948126242 /nfs/dbraw/zinc/12/62/42/948126242.db2.gz OKEBBYOLVSUQHS-CYBMUJFWSA-N 1 0 350.384 3.791 20 10 FHCDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1O ZINC000824293189 608531309 /nfs/dbraw/zinc/53/13/09/608531309.db2.gz HOTOXIPQGLSQBX-UHFFFAOYSA-N 1 0 357.845 3.636 20 10 FHCDRO CCOc1cccc(C[N@H+](CC)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC000825649669 608551527 /nfs/dbraw/zinc/55/15/27/608551527.db2.gz UTZXZEUMNCQDAR-CQSZACIVSA-N 1 0 367.453 3.554 20 10 FHCDRO Oc1ccc(Cl)cc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511293 608858985 /nfs/dbraw/zinc/85/89/85/608858985.db2.gz JRSUKUFCSHKTPE-UHFFFAOYSA-N 1 0 367.840 3.515 20 10 FHCDRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000121375959 936315271 /nfs/dbraw/zinc/31/52/71/936315271.db2.gz GFAMWDMDYSWDPK-UHFFFAOYSA-N 1 0 360.841 3.602 20 10 FHCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1OC ZINC000160193724 927221786 /nfs/dbraw/zinc/22/17/86/927221786.db2.gz DRNBGXMJNTVBPA-GOSISDBHSA-N 1 0 357.450 3.591 20 10 FHCDRO CCC[N@H+](CC)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000175765830 928869759 /nfs/dbraw/zinc/86/97/59/928869759.db2.gz OBRDHNLVLXHFRG-UHFFFAOYSA-N 1 0 360.546 3.550 20 10 FHCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000382441309 929674311 /nfs/dbraw/zinc/67/43/11/929674311.db2.gz FPYJWMBCPZLRCG-CHWSQXEVSA-N 1 0 354.878 3.829 20 10 FHCDRO COc1cc(O)c(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000160323624 929791008 /nfs/dbraw/zinc/79/10/08/929791008.db2.gz YTRKYAGTBMCQRR-QGZVFWFLSA-N 1 0 370.493 3.506 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3cn(CCOC)nc32)cc1 ZINC000374712890 929892092 /nfs/dbraw/zinc/89/20/92/929892092.db2.gz DPAVHSLHMGGNOS-HXUWFJFHSA-N 1 0 356.514 3.543 20 10 FHCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCCCCC3)cc1)CC2 ZINC000160454612 930491559 /nfs/dbraw/zinc/49/15/59/930491559.db2.gz FYGUSLXRQHIGIR-APWZRJJASA-N 1 0 353.514 3.633 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000471604157 930961535 /nfs/dbraw/zinc/96/15/35/930961535.db2.gz ISGGCXFXHXYFSS-QGZVFWFLSA-N 1 0 370.541 3.798 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C4=CCOCC4)cc3)cc2)CC1 ZINC001167431234 931041863 /nfs/dbraw/zinc/04/18/63/931041863.db2.gz NOVMKFTVBXKQAI-UHFFFAOYSA-N 1 0 363.505 3.854 20 10 FHCDRO CC(C)[S@](=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001167434320 931140934 /nfs/dbraw/zinc/14/09/34/931140934.db2.gz IWUYGTCEFOLXSD-SANMLTNESA-N 1 0 371.550 3.567 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3c(F)cc4ncccc4c3F)cc2)CC1 ZINC001167434903 931160344 /nfs/dbraw/zinc/16/03/44/931160344.db2.gz YTPJKUZMYOBGTO-UHFFFAOYSA-N 1 0 368.431 3.877 20 10 FHCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCS2 ZINC000276198277 932035173 /nfs/dbraw/zinc/03/51/73/932035173.db2.gz YDLWVKHVQYHDOO-FQEVSTJZSA-N 1 0 370.518 3.859 20 10 FHCDRO O=C(C[NH2+]C1(CO)CCCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255310662 932144728 /nfs/dbraw/zinc/14/47/28/932144728.db2.gz KRYKGZZGGDPVNV-UHFFFAOYSA-N 1 0 352.438 3.935 20 10 FHCDRO Cc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c(C)n1-c1ccccn1 ZINC000076222729 932363822 /nfs/dbraw/zinc/36/38/22/932363822.db2.gz ABPSCCFHYVOBOO-UHFFFAOYSA-N 1 0 362.477 3.846 20 10 FHCDRO COc1ccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(O)c1OC ZINC000891554374 932749737 /nfs/dbraw/zinc/74/97/37/932749737.db2.gz HHNGGNCMSKYLNL-UHFFFAOYSA-N 1 0 365.433 3.575 20 10 FHCDRO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000093275248 934114757 /nfs/dbraw/zinc/11/47/57/934114757.db2.gz HTZMAIZMRNASRD-CQSZACIVSA-N 1 0 363.502 3.929 20 10 FHCDRO COc1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c(O)c1OC ZINC000892022171 934851051 /nfs/dbraw/zinc/85/10/51/934851051.db2.gz TXNAOWWKHDCZHT-UHFFFAOYSA-N 1 0 371.477 3.838 20 10 FHCDRO COc1cc(C)cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1O ZINC000894391843 945091140 /nfs/dbraw/zinc/09/11/40/945091140.db2.gz GEANXNOROOIGSX-UHFFFAOYSA-N 1 0 355.463 3.560 20 10 FHCDRO CCOc1cccc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c1O ZINC000277663408 935791431 /nfs/dbraw/zinc/79/14/31/935791431.db2.gz OEVQHMPBFKVIKJ-QGZVFWFLSA-N 1 0 353.422 3.556 20 10 FHCDRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176690799 935854534 /nfs/dbraw/zinc/85/45/34/935854534.db2.gz GTQNYNMDXRGVPK-LJQANCHMSA-N 1 0 353.510 3.735 20 10 FHCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCN1C ZINC000152948240 935915877 /nfs/dbraw/zinc/91/58/77/935915877.db2.gz BKMMCQLVVGFMQG-GDBMZVCRSA-N 1 0 371.447 3.626 20 10 FHCDRO COc1ccc(CNc2cccc(C[NH+]3CCSCC3)c2)c(O)c1OC ZINC000892356861 938400058 /nfs/dbraw/zinc/40/00/58/938400058.db2.gz WRWOGFJKHYPUGN-UHFFFAOYSA-N 1 0 374.506 3.570 20 10 FHCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000161883945 938418496 /nfs/dbraw/zinc/41/84/96/938418496.db2.gz AOPGYGQTZXUBJH-UHFFFAOYSA-N 1 0 368.477 3.615 20 10 FHCDRO Cc1cc(Br)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC000158031980 938464598 /nfs/dbraw/zinc/46/45/98/938464598.db2.gz HDTZDUZHUNYVAQ-INIZCTEOSA-N 1 0 353.304 3.523 20 10 FHCDRO COc1cc(O)c(C[N@H+](C)CCOc2ccc(Cl)cc2)cc1OC ZINC000158835554 938875878 /nfs/dbraw/zinc/87/58/78/938875878.db2.gz KWHAPVDMNOFHGZ-UHFFFAOYSA-N 1 0 351.830 3.574 20 10 FHCDRO CCN(CC)c1ccc(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)cc1 ZINC000728602794 939126737 /nfs/dbraw/zinc/12/67/37/939126737.db2.gz OIQLVJBOWJQMMF-NRFANRHFSA-N 1 0 353.510 3.842 20 10 FHCDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cccc(OCC)c1O ZINC000179609836 939894116 /nfs/dbraw/zinc/89/41/16/939894116.db2.gz ALSWBERRBZDGHF-UHFFFAOYSA-N 1 0 356.466 3.950 20 10 FHCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000179781246 939934705 /nfs/dbraw/zinc/93/47/05/939934705.db2.gz BJJCSAQNEDRVDQ-IBGZPJMESA-N 1 0 363.509 3.955 20 10 FHCDRO CCc1oc(C(=O)OC)cc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000177153407 939970692 /nfs/dbraw/zinc/97/06/92/939970692.db2.gz KRHZYMKWOUVRNH-QGZVFWFLSA-N 1 0 373.449 3.515 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(O)c1OC ZINC000892488089 940010879 /nfs/dbraw/zinc/01/08/79/940010879.db2.gz CVXWTLQIMPBICZ-UHFFFAOYSA-N 1 0 357.328 3.598 20 10 FHCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3noc(C(F)F)n3)CC2)c1O ZINC000376035673 940219290 /nfs/dbraw/zinc/21/92/90/940219290.db2.gz UCGCUKQFQUEGLA-UHFFFAOYSA-N 1 0 373.787 3.754 20 10 FHCDRO CN(C)c1ccc(C[NH+]2CCC(c3noc(C(F)F)n3)CC2)cc1F ZINC000376044743 940233040 /nfs/dbraw/zinc/23/30/40/940233040.db2.gz UQLFCXPTVCSKSS-UHFFFAOYSA-N 1 0 354.376 3.592 20 10 FHCDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(N(C)C)cc1 ZINC000376120370 940332714 /nfs/dbraw/zinc/33/27/14/940332714.db2.gz XYOPQSIQPNWOSB-QYZOEREBSA-N 1 0 370.497 3.974 20 10 FHCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000382534353 940342642 /nfs/dbraw/zinc/34/26/42/940342642.db2.gz NIXWFOMFKXDKOA-HUUCEWRRSA-N 1 0 354.878 3.971 20 10 FHCDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975538 940496534 /nfs/dbraw/zinc/49/65/34/940496534.db2.gz KCKTWFFSJQHAJQ-GOSISDBHSA-N 1 0 351.494 3.818 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c(O)c1OC ZINC000892575415 940818984 /nfs/dbraw/zinc/81/89/84/940818984.db2.gz WESVEHOBCJTPNB-ZDUSSCGKSA-N 1 0 361.438 3.586 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000066699887 941222989 /nfs/dbraw/zinc/22/29/89/941222989.db2.gz GUAWUQRGSOTVMR-UHFFFAOYSA-N 1 0 355.482 3.576 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C)c1 ZINC000311299882 941226123 /nfs/dbraw/zinc/22/61/23/941226123.db2.gz JJKGVSUUJZNAHF-GJZGRUSLSA-N 1 0 366.502 3.991 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2nc(-c3ccccc3)no2)c1 ZINC000376893690 941460952 /nfs/dbraw/zinc/46/09/52/941460952.db2.gz QBQMZPGHHCEWPE-KBPBESRZSA-N 1 0 353.422 3.733 20 10 FHCDRO c1cc(N2CCOCC2)ccc1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000236652227 941639723 /nfs/dbraw/zinc/63/97/23/941639723.db2.gz YNYXBGTYAPJWOY-UHFFFAOYSA-N 1 0 371.569 3.802 20 10 FHCDRO OC1CCN(c2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2F)CC1 ZINC000280449251 942182242 /nfs/dbraw/zinc/18/22/42/942182242.db2.gz DHLZAHOXRMLLLP-JOCHJYFZSA-N 1 0 369.484 3.813 20 10 FHCDRO C[C@@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000236673486 942449601 /nfs/dbraw/zinc/44/96/01/942449601.db2.gz BJQPNZNLWJJZGC-SFHVURJKSA-N 1 0 357.542 3.565 20 10 FHCDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000181423711 942544301 /nfs/dbraw/zinc/54/43/01/942544301.db2.gz XELVCEJXHUTNJM-UHFFFAOYSA-N 1 0 358.526 3.742 20 10 FHCDRO COc1ccc(N2CCC[N@H+](Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000378352659 942634738 /nfs/dbraw/zinc/63/47/38/942634738.db2.gz ZDRDMPJFNXQJKS-LJQANCHMSA-N 1 0 373.522 3.716 20 10 FHCDRO O=C(Nc1cccnc1)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000378374375 942672469 /nfs/dbraw/zinc/67/24/69/942672469.db2.gz FYCLDCZZPOWMLM-UHFFFAOYSA-N 1 0 361.445 3.791 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000182462572 942743262 /nfs/dbraw/zinc/74/32/62/942743262.db2.gz FNQHQZCXGWJUIE-NSHDSACASA-N 1 0 368.355 3.709 20 10 FHCDRO COc1ccc(O)c(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)c1 ZINC000182655382 942771869 /nfs/dbraw/zinc/77/18/69/942771869.db2.gz IXPNQBZRSAJSCD-UHFFFAOYSA-N 1 0 370.371 3.762 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c(O)c1C ZINC000363851083 942845252 /nfs/dbraw/zinc/84/52/52/942845252.db2.gz HTVTYRXMKCRJJX-RDJZCZTQSA-N 1 0 370.497 3.585 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)c(O)c1 ZINC000363853945 942856277 /nfs/dbraw/zinc/85/62/77/942856277.db2.gz LGWLJUZOHDJUMN-AEFFLSMTSA-N 1 0 362.477 3.549 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)ccc1O ZINC000363855747 942860670 /nfs/dbraw/zinc/86/06/70/942860670.db2.gz NPGSBONDHNFJCN-GFCCVEGCSA-N 1 0 373.254 3.586 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)c(O)c1C ZINC000363855880 942860844 /nfs/dbraw/zinc/86/08/44/942860844.db2.gz BHBXXQPZKSWBPY-UYAOXDASSA-N 1 0 353.510 3.967 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc2ccccc2c1O ZINC000363866650 942892542 /nfs/dbraw/zinc/89/25/42/942892542.db2.gz OXZGXQSZPIOOAJ-YJBOKZPZSA-N 1 0 361.445 3.506 20 10 FHCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc2ccccc2c1O ZINC000363866648 942892714 /nfs/dbraw/zinc/89/27/14/942892714.db2.gz OXZGXQSZPIOOAJ-QAPCUYQASA-N 1 0 361.445 3.506 20 10 FHCDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000273371418 942942533 /nfs/dbraw/zinc/94/25/33/942942533.db2.gz FEVWBXRITSWXBB-FUHWJXTLSA-N 1 0 361.413 3.558 20 10 FHCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000273371423 942942657 /nfs/dbraw/zinc/94/26/57/942942657.db2.gz FEVWBXRITSWXBB-SJLPKXTDSA-N 1 0 361.413 3.558 20 10 FHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000273742968 943026588 /nfs/dbraw/zinc/02/65/88/943026588.db2.gz MDZZMUHDJPFYFG-BGJPBQGDSA-N 1 0 353.871 3.642 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000185160385 943113821 /nfs/dbraw/zinc/11/38/21/943113821.db2.gz WMHRUZHRVYIUJN-KBPBESRZSA-N 1 0 356.422 3.769 20 10 FHCDRO COCC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000272514646 943169493 /nfs/dbraw/zinc/16/94/93/943169493.db2.gz GXVMFPWURAOPTR-YJBOKZPZSA-N 1 0 362.445 3.684 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000435568400 943490493 /nfs/dbraw/zinc/49/04/93/943490493.db2.gz OUTBPFBJFOAWRH-INIZCTEOSA-N 1 0 353.510 3.665 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c1 ZINC000760018327 943566000 /nfs/dbraw/zinc/56/60/00/943566000.db2.gz OBDNGTYKTIXEHU-MJGOQNOKSA-N 1 0 356.535 3.969 20 10 FHCDRO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Br)ccc1O ZINC000367439756 943626351 /nfs/dbraw/zinc/62/63/51/943626351.db2.gz WUODRGQVHWQCLE-LLVKDONJSA-N 1 0 350.260 3.538 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC2(C)C)C1 ZINC000436014520 943954138 /nfs/dbraw/zinc/95/41/38/943954138.db2.gz FGFVMFNZVNYTBW-UHFFFAOYSA-N 1 0 353.510 3.809 20 10 FHCDRO CCc1cccc(C[NH2+][C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1O ZINC000711711934 943997194 /nfs/dbraw/zinc/99/71/94/943997194.db2.gz DLXCTVIDTZJTAP-UWJYYQICSA-N 1 0 360.498 3.976 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)c1O ZINC000894350839 944433582 /nfs/dbraw/zinc/43/35/82/944433582.db2.gz TWDTVSJXOLDPDE-QGZVFWFLSA-N 1 0 371.477 3.723 20 10 FHCDRO COC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(Cl)cc1 ZINC000894710971 944487023 /nfs/dbraw/zinc/48/70/23/944487023.db2.gz GUDIEECCWMSZJK-HNNXBMFYSA-N 1 0 365.857 3.583 20 10 FHCDRO C[N@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000194315084 944652180 /nfs/dbraw/zinc/65/21/80/944652180.db2.gz APNVOXRJDWKCHV-UHFFFAOYSA-N 1 0 369.490 3.872 20 10 FHCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756635272 945054789 /nfs/dbraw/zinc/05/47/89/945054789.db2.gz FPVPCHRHMHQCTH-MLGOLLRUSA-N 1 0 350.256 3.847 20 10 FHCDRO c1cncc([C@H]2CCC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000800223717 945804907 /nfs/dbraw/zinc/80/49/07/945804907.db2.gz CHDKSZHYZMUFNE-FPOVZHCZSA-N 1 0 351.494 3.734 20 10 FHCDRO C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000281744455 945826906 /nfs/dbraw/zinc/82/69/06/945826906.db2.gz VRGIHDPOQTUCRG-ZDUSSCGKSA-N 1 0 353.388 3.940 20 10 FHCDRO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000178420162 946104284 /nfs/dbraw/zinc/10/42/84/946104284.db2.gz BYHBCKSSYAPNDD-LLVKDONJSA-N 1 0 352.397 3.566 20 10 FHCDRO Cc1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc[nH+]1 ZINC000302315410 946206119 /nfs/dbraw/zinc/20/61/19/946206119.db2.gz PWCJPFCCNQTLJZ-UHFFFAOYSA-N 1 0 351.372 3.858 20 10 FHCDRO COC1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000840791153 946557919 /nfs/dbraw/zinc/55/79/19/946557919.db2.gz CEKOOVCOJHLLJV-UQPPLGOBSA-N 1 0 352.906 3.785 20 10 FHCDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(N2CCCCC2)cc1 ZINC000178451949 946620900 /nfs/dbraw/zinc/62/09/00/946620900.db2.gz JBAHSLNCPAYEQG-QGZVFWFLSA-N 1 0 369.484 3.897 20 10 FHCDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000840807881 946661085 /nfs/dbraw/zinc/66/10/85/946661085.db2.gz DRCFDAPBJSROAL-BEFAXECRSA-N 1 0 355.478 3.706 20 10 FHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O ZINC000310627333 946666592 /nfs/dbraw/zinc/66/65/92/946666592.db2.gz DGGIIQXBYCVCGI-KDOFPFPSSA-N 1 0 360.885 3.807 20 10 FHCDRO CCOc1cccc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1O ZINC000897267312 947079317 /nfs/dbraw/zinc/07/93/17/947079317.db2.gz GWZKOOIPOVXJFS-SFHVURJKSA-N 1 0 369.461 3.642 20 10 FHCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1O ZINC000760034191 947575526 /nfs/dbraw/zinc/57/55/26/947575526.db2.gz LTOVLLBKXIBBPW-DZGCQCFKSA-N 1 0 364.283 3.657 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000165176298 947706429 /nfs/dbraw/zinc/70/64/29/947706429.db2.gz CGXBKEISZWXHFL-INIZCTEOSA-N 1 0 357.473 3.579 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1 ZINC000760035672 947737535 /nfs/dbraw/zinc/73/75/35/947737535.db2.gz CDZTXNXWAXXNHJ-RXYZOABWSA-N 1 0 373.468 3.964 20 10 FHCDRO Fc1cc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)ccc1N1CCOCC1 ZINC000800223120 947997777 /nfs/dbraw/zinc/99/77/77/947997777.db2.gz RVTPUPANWKJJGY-AZUAARDMSA-N 1 0 369.484 3.873 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1F ZINC000066969997 948126845 /nfs/dbraw/zinc/12/68/45/948126845.db2.gz OKEBBYOLVSUQHS-ZDUSSCGKSA-N 1 0 350.384 3.791 20 10 FHCDRO Cc1cc(C(=O)CN2CCC[C@H]([NH+](C)C)CC2)c(C)n1-c1ccccc1 ZINC000759968150 948322357 /nfs/dbraw/zinc/32/23/57/948322357.db2.gz VRGQBAOHFPJXBI-IBGZPJMESA-N 1 0 353.510 3.693 20 10 FHCDRO C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000067453177 948795080 /nfs/dbraw/zinc/79/50/80/948795080.db2.gz KIQQUPSKKHOMPZ-PMACEKPBSA-N 1 0 359.558 3.656 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821197965 599395280 /nfs/dbraw/zinc/39/52/80/599395280.db2.gz PRWGUJLCLWALLL-HNNXBMFYSA-N 1 0 350.470 3.564 20 10 FHCDRO c1cc(-c2nn[nH]n2)cc(C2([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000826513643 607706575 /nfs/dbraw/zinc/70/65/75/607706575.db2.gz RFDDDKIADDXQPM-UHFFFAOYSA-N 1 0 374.492 3.636 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCCO1 ZINC000160170065 927072526 /nfs/dbraw/zinc/07/25/26/927072526.db2.gz DJXQICPGYVKWCV-NRFANRHFSA-N 1 0 363.461 3.759 20 10 FHCDRO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000728551073 937192533 /nfs/dbraw/zinc/19/25/33/937192533.db2.gz XMRKQKQTKRAPLT-UHFFFAOYSA-N 1 0 359.901 3.915 20 10 FHCDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc2ccccc2c1O ZINC000274821849 928820378 /nfs/dbraw/zinc/82/03/78/928820378.db2.gz YNBIRXWMXXJJPV-MRXNPFEDSA-N 1 0 363.461 3.628 20 10 FHCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc(F)cc(Cl)c3)cc2F)CC1 ZINC000274945824 929075027 /nfs/dbraw/zinc/07/50/27/929075027.db2.gz CJJMKSFLFUSIHZ-UHFFFAOYSA-N 1 0 366.839 3.869 20 10 FHCDRO CC[C@H]([NH2+]CCCc1nc(C)no1)c1cc(Br)ccc1O ZINC000274958506 929077145 /nfs/dbraw/zinc/07/71/45/929077145.db2.gz WEKOXBRLUJWUOH-ZDUSSCGKSA-N 1 0 354.248 3.520 20 10 FHCDRO Brc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000074333807 929783411 /nfs/dbraw/zinc/78/34/11/929783411.db2.gz CQORPYQUYRPISW-UHFFFAOYSA-N 1 0 361.283 3.576 20 10 FHCDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330256 929927222 /nfs/dbraw/zinc/92/72/22/929927222.db2.gz ZJMKRRUJVNOARO-ZWKOTPCHSA-N 1 0 356.432 3.873 20 10 FHCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1OC ZINC000160369792 930228534 /nfs/dbraw/zinc/22/85/34/930228534.db2.gz ZVTZALXCASYGDQ-LJQANCHMSA-N 1 0 371.477 3.633 20 10 FHCDRO c1cc(N2CC[NH+](CC3CC3)CC2)ccc1CNc1nnc(C2CC2)s1 ZINC000091675453 937408572 /nfs/dbraw/zinc/40/85/72/937408572.db2.gz WUVBAVLVSMTWBU-UHFFFAOYSA-N 1 0 369.538 3.560 20 10 FHCDRO CN(C)c1ccc([C@@H](CNC(=O)c2sccc2C(F)F)[NH+](C)C)cc1 ZINC000891247269 930528941 /nfs/dbraw/zinc/52/89/41/930528941.db2.gz SFTXOJNDEADYGK-OAHLLOKOSA-N 1 0 367.465 3.784 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000160467073 930541578 /nfs/dbraw/zinc/54/15/78/930541578.db2.gz JQNLSWABPRRHMG-QHCPKHFHSA-N 1 0 367.537 3.826 20 10 FHCDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c(O)cc1C ZINC000160519830 930731571 /nfs/dbraw/zinc/73/15/71/930731571.db2.gz NXFSENZJSAEINP-UHFFFAOYSA-N 1 0 363.404 3.783 20 10 FHCDRO CCc1nc(Cl)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1CC ZINC001167431117 931032078 /nfs/dbraw/zinc/03/20/78/931032078.db2.gz HXVFECNQMBZSKZ-UHFFFAOYSA-N 1 0 373.932 3.619 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000471612988 931040450 /nfs/dbraw/zinc/04/04/50/931040450.db2.gz VWMACMXIGSXDEJ-JKSUJKDBSA-N 1 0 356.514 3.549 20 10 FHCDRO C[NH+](C)C[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000255241969 931405574 /nfs/dbraw/zinc/40/55/74/931405574.db2.gz ZOFGPAAFHDUFTH-QGZVFWFLSA-N 1 0 365.481 3.924 20 10 FHCDRO CC1CC[NH+](Cc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)CC1 ZINC000588403236 931722533 /nfs/dbraw/zinc/72/25/33/931722533.db2.gz AHERQAZRPWZWHB-UITAMQMPSA-N 1 0 366.461 3.982 20 10 FHCDRO Oc1cc(F)c(F)cc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCCC(F)(F)F ZINC001279108377 932003049 /nfs/dbraw/zinc/00/30/49/932003049.db2.gz UTVUZHAMKODPRW-GJZGRUSLSA-N 1 0 364.358 3.662 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccco1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891395275 932052511 /nfs/dbraw/zinc/05/25/11/932052511.db2.gz XEAFIMXCMSLCRX-MSOLQXFVSA-N 1 0 361.413 3.621 20 10 FHCDRO COc1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(O)c1OC ZINC000891517844 932685808 /nfs/dbraw/zinc/68/58/08/932685808.db2.gz YOZDEAFMVOXDDB-OAHLLOKOSA-N 1 0 363.479 3.652 20 10 FHCDRO CCCC[NH+]1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471762658 932830681 /nfs/dbraw/zinc/83/06/81/932830681.db2.gz UJWRLZSBOMWIRX-UHFFFAOYSA-N 1 0 356.514 3.550 20 10 FHCDRO CC[C@@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)ccc1O ZINC000156656902 934841662 /nfs/dbraw/zinc/84/16/62/934841662.db2.gz WRMDGBJJPRBEJS-MRXNPFEDSA-N 1 0 372.303 3.781 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(F)cn2)C1 ZINC000582159960 935360157 /nfs/dbraw/zinc/36/01/57/935360157.db2.gz LBWJUXVBPNVNRB-UHFFFAOYSA-N 1 0 366.440 3.581 20 10 FHCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(O)c1OC ZINC000892216295 935378009 /nfs/dbraw/zinc/37/80/09/935378009.db2.gz IBPYVGDSVNHOAZ-HUUCEWRRSA-N 1 0 363.479 3.559 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000472225002 935697825 /nfs/dbraw/zinc/69/78/25/935697825.db2.gz PAZFQSNQSMBIEQ-SFHVURJKSA-N 1 0 368.525 3.647 20 10 FHCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000176673700 935751119 /nfs/dbraw/zinc/75/11/19/935751119.db2.gz NPLFNARLZSGUSH-KRWDZBQOSA-N 1 0 364.445 3.865 20 10 FHCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000176673718 935751303 /nfs/dbraw/zinc/75/13/03/935751303.db2.gz NPLFNARLZSGUSH-QGZVFWFLSA-N 1 0 364.445 3.865 20 10 FHCDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472245926 935975750 /nfs/dbraw/zinc/97/57/50/935975750.db2.gz XOJUBZDXQKGMBP-UHFFFAOYSA-N 1 0 356.514 3.504 20 10 FHCDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001167625643 936195389 /nfs/dbraw/zinc/19/53/89/936195389.db2.gz XGNFGXACTVSABK-UHFFFAOYSA-N 1 0 361.364 3.978 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000161456729 936295994 /nfs/dbraw/zinc/29/59/94/936295994.db2.gz CKWKUAZATYJGFS-GOSISDBHSA-N 1 0 353.510 3.830 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000161456864 936296026 /nfs/dbraw/zinc/29/60/26/936296026.db2.gz CKWKUAZATYJGFS-SFHVURJKSA-N 1 0 353.510 3.830 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cncs1 ZINC000163399497 938366855 /nfs/dbraw/zinc/36/68/55/938366855.db2.gz IEEXFJIPJDYNTA-GFCCVEGCSA-N 1 0 371.428 3.849 20 10 FHCDRO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176798559 938440459 /nfs/dbraw/zinc/44/04/59/938440459.db2.gz QCUMBUIHUGIFMI-SFHVURJKSA-N 1 0 363.461 3.825 20 10 FHCDRO COc1cccc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000052686767 938488857 /nfs/dbraw/zinc/48/88/57/938488857.db2.gz RIBZRWQIJWZWNB-UHFFFAOYSA-N 1 0 367.493 3.756 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000133244401 938568521 /nfs/dbraw/zinc/56/85/21/938568521.db2.gz GIZSZNVCAUBEOC-MRXNPFEDSA-N 1 0 355.482 3.691 20 10 FHCDRO CN(C)c1ccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000162062546 938624248 /nfs/dbraw/zinc/62/42/48/938624248.db2.gz OVYDWBYNCUVXAD-UHFFFAOYSA-N 1 0 372.557 3.550 20 10 FHCDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(OCC)c1O ZINC000179627576 939903721 /nfs/dbraw/zinc/90/37/21/939903721.db2.gz UKSHNPWGILSXIU-UHFFFAOYSA-N 1 0 372.465 3.650 20 10 FHCDRO COc1cccc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1O ZINC000179754433 939931962 /nfs/dbraw/zinc/93/19/62/939931962.db2.gz POUPRRWMGOCQJG-DOTOQJQBSA-N 1 0 368.260 3.798 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c(O)c1OC ZINC000892586336 940850207 /nfs/dbraw/zinc/85/02/07/940850207.db2.gz GXHLSWBKGWOMJR-UHFFFAOYSA-N 1 0 371.355 3.640 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000066697557 941221122 /nfs/dbraw/zinc/22/11/22/941221122.db2.gz ZDYYVXNTDXVKCM-IBGZPJMESA-N 1 0 373.472 3.756 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000066697558 941221167 /nfs/dbraw/zinc/22/11/67/941221167.db2.gz ZDYYVXNTDXVKCM-LJQANCHMSA-N 1 0 373.472 3.756 20 10 FHCDRO COc1ccc(O)c(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1 ZINC000311298766 941225545 /nfs/dbraw/zinc/22/55/45/941225545.db2.gz VXJKLCWDAOLICC-KRWDZBQOSA-N 1 0 364.486 3.574 20 10 FHCDRO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c(O)c1OC ZINC000892693100 941313135 /nfs/dbraw/zinc/31/31/35/941313135.db2.gz BSMOMVQZOVZPNH-SJLPKXTDSA-N 1 0 361.413 3.558 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000376756339 941417607 /nfs/dbraw/zinc/41/76/07/941417607.db2.gz CPUUMIYKZSYXCL-PXNSSMCTSA-N 1 0 366.505 3.692 20 10 FHCDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000376756344 941418258 /nfs/dbraw/zinc/41/82/58/941418258.db2.gz CPUUMIYKZSYXCL-XLIONFOSSA-N 1 0 366.505 3.692 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000376891909 941460993 /nfs/dbraw/zinc/46/09/93/941460993.db2.gz FWIIJSNEIGYDRT-FZKQIMNGSA-N 1 0 368.437 3.894 20 10 FHCDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)c(OC)c1 ZINC000378875022 941522913 /nfs/dbraw/zinc/52/29/13/941522913.db2.gz YAWIVTLELSNZIH-NSHDSACASA-N 1 0 351.830 3.922 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)c(O)c1OC ZINC000892778789 941545924 /nfs/dbraw/zinc/54/59/24/941545924.db2.gz NGPKRLDUEGREBF-UHFFFAOYSA-N 1 0 372.465 3.806 20 10 FHCDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c(O)c(C(C)(C)C)c1 ZINC000178869415 941733808 /nfs/dbraw/zinc/73/38/08/941733808.db2.gz CTOQOTMPBHPVBL-AWEZNQCLSA-N 1 0 359.470 3.769 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1Br ZINC000894212742 941744815 /nfs/dbraw/zinc/74/48/15/941744815.db2.gz HIIHJXPUYQOKJX-UHFFFAOYSA-N 1 0 366.255 3.770 20 10 FHCDRO COc1ccccc1N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000024102481 941751487 /nfs/dbraw/zinc/75/14/87/941751487.db2.gz PNXUBCRFIKRCOH-UHFFFAOYSA-N 1 0 370.493 3.726 20 10 FHCDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@@H](C)C2)s1 ZINC000377790479 941990737 /nfs/dbraw/zinc/99/07/37/941990737.db2.gz KJALLWDNRCNFJU-YWZLYKJASA-N 1 0 358.555 3.518 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c(O)c1OC ZINC000893083397 942002134 /nfs/dbraw/zinc/00/21/34/942002134.db2.gz MEOKRTUWQNHJTM-UHFFFAOYSA-N 1 0 373.783 3.954 20 10 FHCDRO COc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(O)cc1C ZINC000181460618 942550717 /nfs/dbraw/zinc/55/07/17/942550717.db2.gz WNRFVCNOHGXXOQ-AWEZNQCLSA-N 1 0 369.387 3.762 20 10 FHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000181467636 942552433 /nfs/dbraw/zinc/55/24/33/942552433.db2.gz CBNJHROQCBBBOC-AWEZNQCLSA-N 1 0 369.387 3.762 20 10 FHCDRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])CC2)cs1 ZINC000363860725 942877916 /nfs/dbraw/zinc/87/79/16/942877916.db2.gz GVZLIODHDIYNAC-ZDUSSCGKSA-N 1 0 363.502 3.859 20 10 FHCDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C(C)(C)C)n1 ZINC000183513622 942882196 /nfs/dbraw/zinc/88/21/96/942882196.db2.gz YUSNDWZDNBQIAC-SFHVURJKSA-N 1 0 357.498 3.604 20 10 FHCDRO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000273164594 942899861 /nfs/dbraw/zinc/89/98/61/942899861.db2.gz AOUUOIWNNJBEKF-IXDOHACOSA-N 1 0 350.478 3.518 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1C ZINC000273489300 942968688 /nfs/dbraw/zinc/96/86/88/942968688.db2.gz NWEUOTZZLRYLBS-IEBWSBKVSA-N 1 0 352.478 3.708 20 10 FHCDRO C[NH+](C)C1CCN(c2ccc(NCc3cccc(Cl)c3O)nc2)CC1 ZINC000271788138 943050877 /nfs/dbraw/zinc/05/08/77/943050877.db2.gz GAKAIZMAXSIQOO-UHFFFAOYSA-N 1 0 360.889 3.583 20 10 FHCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)CC1CCS(=O)(=O)CC1 ZINC000271793534 943051786 /nfs/dbraw/zinc/05/17/86/943051786.db2.gz ARNIVDVKRQSLMD-KRWDZBQOSA-N 1 0 373.518 3.780 20 10 FHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000185166256 943115540 /nfs/dbraw/zinc/11/55/40/943115540.db2.gz WGVKSKMOJIOOPJ-JXFKEZNVSA-N 1 0 358.457 3.564 20 10 FHCDRO COc1cccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1O ZINC000185201917 943122332 /nfs/dbraw/zinc/12/23/32/943122332.db2.gz SBCGSJVFQUXZBJ-AWEZNQCLSA-N 1 0 366.383 3.788 20 10 FHCDRO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000185394491 943160042 /nfs/dbraw/zinc/16/00/42/943160042.db2.gz SUAYALISDXSBGO-KBPBESRZSA-N 1 0 352.450 3.829 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CCCC2)C1 ZINC000435510831 943452087 /nfs/dbraw/zinc/45/20/87/943452087.db2.gz JMCLJBGPOMFQBK-UHFFFAOYSA-N 1 0 353.510 3.714 20 10 FHCDRO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Br)ccc1O ZINC000367439757 943626481 /nfs/dbraw/zinc/62/64/81/943626481.db2.gz WUODRGQVHWQCLE-NSHDSACASA-N 1 0 350.260 3.538 20 10 FHCDRO CN(C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1)C(=O)OC(C)(C)C ZINC000729463631 944351060 /nfs/dbraw/zinc/35/10/60/944351060.db2.gz NJXMLLMTXTUQDZ-OAHLLOKOSA-N 1 0 360.498 3.570 20 10 FHCDRO COC(=O)c1ccc(C[N@H+](C)Cc2c(O)ccc3ccc(OC)cc32)cc1 ZINC000025477210 944380279 /nfs/dbraw/zinc/38/02/79/944380279.db2.gz UXIOMXPDIOSFFF-UHFFFAOYSA-N 1 0 365.429 3.973 20 10 FHCDRO CN(C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1)C(=O)OC(C)(C)C ZINC000729465966 944413581 /nfs/dbraw/zinc/41/35/81/944413581.db2.gz IUHUBWKJCKQIGN-OAHLLOKOSA-N 1 0 371.481 3.629 20 10 FHCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CSCCS2)ccc1N1CCCCC1 ZINC000759836007 944496646 /nfs/dbraw/zinc/49/66/46/944496646.db2.gz WCTHUMJWNSSFKA-HNNXBMFYSA-N 1 0 367.540 3.523 20 10 FHCDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC000894785644 944613466 /nfs/dbraw/zinc/61/34/66/944613466.db2.gz XRTUCJQVZCABAH-UHFFFAOYSA-N 1 0 371.481 3.602 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)c1O ZINC000894385030 944793585 /nfs/dbraw/zinc/79/35/85/944793585.db2.gz KEXGPXCTBPFKFW-UHFFFAOYSA-N 1 0 357.454 3.529 20 10 FHCDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000840719909 945808260 /nfs/dbraw/zinc/80/82/60/945808260.db2.gz WYMFOJDNPOBHRR-NHCUHLMSSA-N 1 0 374.569 3.967 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNc3nnc(C(C)C)s3)cc2F)CC1 ZINC000301740534 945943288 /nfs/dbraw/zinc/94/32/88/945943288.db2.gz UKTHTPMZLAYLIW-UHFFFAOYSA-N 1 0 363.506 3.555 20 10 FHCDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000310605194 946351137 /nfs/dbraw/zinc/35/11/37/946351137.db2.gz DXFYJVZLJICROU-MRXNPFEDSA-N 1 0 352.450 3.704 20 10 FHCDRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000237287099 946539075 /nfs/dbraw/zinc/53/90/75/946539075.db2.gz NBEPJVJENHOKFE-QFIPXVFZSA-N 1 0 368.521 3.889 20 10 FHCDRO COC1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000840791150 946556790 /nfs/dbraw/zinc/55/67/90/946556790.db2.gz CEKOOVCOJHLLJV-HPUBIQBYSA-N 1 0 352.906 3.785 20 10 FHCDRO Cc1cc(Br)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1O ZINC000897080844 946569767 /nfs/dbraw/zinc/56/97/67/946569767.db2.gz DLANWNJXRNGKJT-OAHLLOKOSA-N 1 0 352.276 3.684 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC23CCC3)C1 ZINC000444327204 946588226 /nfs/dbraw/zinc/58/82/26/946588226.db2.gz JTQDGAKVRVTCNB-UHFFFAOYSA-N 1 0 365.521 3.953 20 10 FHCDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(O)c1OC ZINC000894912957 946590397 /nfs/dbraw/zinc/59/03/97/946590397.db2.gz LSKCVABEUGDVQT-NRFANRHFSA-N 1 0 369.461 3.763 20 10 FHCDRO COc1cc(C)cc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c1O ZINC000894953427 946701761 /nfs/dbraw/zinc/70/17/61/946701761.db2.gz BQHKCOAUTYNPOM-UHFFFAOYSA-N 1 0 360.420 3.558 20 10 FHCDRO CCOc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c(O)c1 ZINC000897267551 947081008 /nfs/dbraw/zinc/08/10/08/947081008.db2.gz LVMKMNTXBUEFIK-HXUWFJFHSA-N 1 0 369.461 3.642 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC3(CC3)C2)C1 ZINC000444360054 947147533 /nfs/dbraw/zinc/14/75/33/947147533.db2.gz BJZDKJYKADOFSN-UHFFFAOYSA-N 1 0 365.521 3.810 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC23CCCC3)C1 ZINC000652568447 947368390 /nfs/dbraw/zinc/36/83/90/947368390.db2.gz FDPIZKTUXSKRNK-UHFFFAOYSA-N 1 0 365.521 3.953 20 10 FHCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1O ZINC000760034195 947578171 /nfs/dbraw/zinc/57/81/71/947578171.db2.gz LTOVLLBKXIBBPW-UKRRQHHQSA-N 1 0 364.283 3.657 20 10 FHCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCc3c1cccc3Br)OCO2 ZINC000105491791 948042056 /nfs/dbraw/zinc/04/20/56/948042056.db2.gz LWIZFFPYFPPFKZ-AWEZNQCLSA-N 1 0 362.223 3.661 20 10 FHCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](O)c1cccc(F)c1 ZINC000749118828 948165585 /nfs/dbraw/zinc/16/55/85/948165585.db2.gz QWUGUHWXWMXBLR-QFYYESIMSA-N 1 0 354.219 3.506 20 10 FHCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237217785 948556363 /nfs/dbraw/zinc/55/63/63/948556363.db2.gz OAUJAGROJMVFGQ-NRFANRHFSA-N 1 0 351.494 3.725 20 10 FHCDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066992091 948582867 /nfs/dbraw/zinc/58/28/67/948582867.db2.gz PZVSRBBKVBHWEC-UHFFFAOYSA-N 1 0 367.468 3.784 20 10 FHCDRO CCN(CC)c1ccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000195560585 948807702 /nfs/dbraw/zinc/80/77/02/948807702.db2.gz WAGQWFBMNTYPIS-UHFFFAOYSA-N 1 0 360.546 3.597 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(O)c1C ZINC000359972122 206777567 /nfs/dbraw/zinc/77/75/67/206777567.db2.gz DUTCMOMXYIMFOD-KRWDZBQOSA-N 1 0 352.478 3.964 20 10 FHCDRO COc1ccc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000105697866 132239108 /nfs/dbraw/zinc/23/91/08/132239108.db2.gz XANVHQFLKAJBGI-UHFFFAOYSA-N 1 0 366.383 3.916 20 10 FHCDRO O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000740097555 600428144 /nfs/dbraw/zinc/42/81/44/600428144.db2.gz LJUHHDHAMJDXBU-QGZVFWFLSA-N 1 0 368.477 3.694 20 10 FHCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000820921523 607086717 /nfs/dbraw/zinc/08/67/17/607086717.db2.gz ZBRBZHYTHXZLRE-IFXJQAMLSA-N 1 0 350.470 3.735 20 10 FHCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(C)cc(C)c1O ZINC000825317766 607846214 /nfs/dbraw/zinc/84/62/14/607846214.db2.gz AJPFESQKIUJMQX-UHFFFAOYSA-N 1 0 351.454 3.601 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C1CCCCC1 ZINC000826511583 608496338 /nfs/dbraw/zinc/49/63/38/608496338.db2.gz WPPGKASCXDLPCL-UHFFFAOYSA-N 1 0 369.494 3.969 20 10 FHCDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)n1-c1ccccn1 ZINC000247968805 937131450 /nfs/dbraw/zinc/13/14/50/937131450.db2.gz FHMOATKZZPSYJM-IRLDBZIGSA-N 1 0 374.488 3.664 20 10 FHCDRO Oc1ccccc1C[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCCO1 ZINC000160188212 927162389 /nfs/dbraw/zinc/16/23/89/927162389.db2.gz RWICWZKVPQLTRS-FQEVSTJZSA-N 1 0 351.446 3.849 20 10 FHCDRO CC(C)C[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001266258934 927204062 /nfs/dbraw/zinc/20/40/62/927204062.db2.gz LKCSIOUUZBJPCY-IBGZPJMESA-N 1 0 371.569 3.907 20 10 FHCDRO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(Br)cc1O ZINC000799727968 927808324 /nfs/dbraw/zinc/80/83/24/927808324.db2.gz CRMDQCMCDJYHKX-CZUORRHYSA-N 1 0 364.283 3.799 20 10 FHCDRO CCOc1cccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1O ZINC000123967614 937199523 /nfs/dbraw/zinc/19/95/23/937199523.db2.gz UIZDUIVWJNZXOK-UHFFFAOYSA-N 1 0 355.463 3.642 20 10 FHCDRO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000120407982 928326431 /nfs/dbraw/zinc/32/64/31/928326431.db2.gz XMHWSRNPIVKPGM-UHFFFAOYSA-N 1 0 372.896 3.713 20 10 FHCDRO O=C(NC1CCCCC1)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000748082551 928617978 /nfs/dbraw/zinc/61/79/78/928617978.db2.gz CSWOELJDPUDYGR-UHFFFAOYSA-N 1 0 367.493 3.601 20 10 FHCDRO COc1c(O)c(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000278168590 937293799 /nfs/dbraw/zinc/29/37/99/937293799.db2.gz FPNQOTCBVCQBQH-AWEZNQCLSA-N 1 0 363.439 3.583 20 10 FHCDRO [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001279107073 929715613 /nfs/dbraw/zinc/71/56/13/929715613.db2.gz ITQAIHZSCSVMFJ-UHFFFAOYSA-N 1 0 350.453 3.901 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275671440 929819429 /nfs/dbraw/zinc/81/94/29/929819429.db2.gz PDHMAAHHUXQYDM-UHFFFAOYSA-N 1 0 355.482 3.940 20 10 FHCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCCCO3)CC1)CCCC2 ZINC000160368428 930222796 /nfs/dbraw/zinc/22/27/96/930222796.db2.gz ZCQJOLWYSZBDRN-OAQYLSRUSA-N 1 0 359.510 3.821 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1C ZINC000048748460 930491522 /nfs/dbraw/zinc/49/15/22/930491522.db2.gz QUOPMVDDRORPJE-UHFFFAOYSA-N 1 0 364.445 3.816 20 10 FHCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050136956 930497128 /nfs/dbraw/zinc/49/71/28/930497128.db2.gz PIDWHJYMCFLVKS-MRXNPFEDSA-N 1 0 373.522 3.507 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000471599613 930902335 /nfs/dbraw/zinc/90/23/35/930902335.db2.gz UQUDSYAPALSVNQ-QGZVFWFLSA-N 1 0 370.541 3.941 20 10 FHCDRO Cc1nc(Cl)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C1CC1 ZINC001167431220 931039955 /nfs/dbraw/zinc/03/99/55/931039955.db2.gz MYTURYACWYZXOT-UHFFFAOYSA-N 1 0 371.916 3.680 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000471616595 931085999 /nfs/dbraw/zinc/08/59/99/931085999.db2.gz BXIGRXAFDUXDPV-UHFFFAOYSA-N 1 0 370.541 3.798 20 10 FHCDRO Cc1c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cncc1-c1ccncc1 ZINC001167436955 931275680 /nfs/dbraw/zinc/27/56/80/931275680.db2.gz INXAVONWPWZZCH-UHFFFAOYSA-N 1 0 373.504 3.816 20 10 FHCDRO CC[NH+](CC)Cc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000078993821 932563344 /nfs/dbraw/zinc/56/33/44/932563344.db2.gz WCCYPNVBQNMUMP-UHFFFAOYSA-N 1 0 353.510 3.977 20 10 FHCDRO COc1ccc2ccc(O)c(C[NH+]3CCN([C@@H](C)C(F)(F)F)CC3)c2c1 ZINC000176069363 933408230 /nfs/dbraw/zinc/40/82/30/933408230.db2.gz BILRMVJYRRQQTK-ZDUSSCGKSA-N 1 0 368.399 3.622 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000471887169 933472605 /nfs/dbraw/zinc/47/26/05/933472605.db2.gz INULQYBWBCAKNZ-LJQANCHMSA-N 1 0 358.530 3.652 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000090724093 933710034 /nfs/dbraw/zinc/71/00/34/933710034.db2.gz KZDSZFLJBOYUFU-INIZCTEOSA-N 1 0 358.457 3.830 20 10 FHCDRO COc1ccc2ccc(O)c(C[N@H+](C)Cc3ccc([S@](C)=O)cc3)c2c1 ZINC000176125229 933750409 /nfs/dbraw/zinc/75/04/09/933750409.db2.gz BYLPZXBBRIEMAX-SANMLTNESA-N 1 0 369.486 3.923 20 10 FHCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093593261 934155497 /nfs/dbraw/zinc/15/54/97/934155497.db2.gz ANIDFBLQDZJYAT-LJQANCHMSA-N 1 0 352.478 3.521 20 10 FHCDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](c2ccccc2)CO1 ZINC000093660681 934162668 /nfs/dbraw/zinc/16/26/68/934162668.db2.gz BBQRSXQTQKJTSX-JTSKRJEESA-N 1 0 370.468 3.624 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000277225120 934817655 /nfs/dbraw/zinc/81/76/55/934817655.db2.gz YFRIWBMZPGDMTI-GOSISDBHSA-N 1 0 365.525 3.787 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1F ZINC000152051016 935188630 /nfs/dbraw/zinc/18/86/30/935188630.db2.gz FDBMBJBRKZYOSN-UHFFFAOYSA-N 1 0 373.472 3.659 20 10 FHCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(O)c1OC ZINC000892216296 935379114 /nfs/dbraw/zinc/37/91/14/935379114.db2.gz IBPYVGDSVNHOAZ-LSDHHAIUSA-N 1 0 363.479 3.559 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000472236732 935903351 /nfs/dbraw/zinc/90/33/51/935903351.db2.gz BOYQETWJFARDSH-UHFFFAOYSA-N 1 0 370.541 3.750 20 10 FHCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1CCOC1 ZINC000152950706 935918736 /nfs/dbraw/zinc/91/87/36/935918736.db2.gz KSJMEODKHCSBRU-UONOGXRCSA-N 1 0 358.404 3.569 20 10 FHCDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000278332515 938310924 /nfs/dbraw/zinc/31/09/24/938310924.db2.gz WNBARHQUPDASNY-NRFANRHFSA-N 1 0 367.449 3.599 20 10 FHCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000177235620 940038526 /nfs/dbraw/zinc/03/85/26/940038526.db2.gz VHVKURHHCJRDQM-CYBMUJFWSA-N 1 0 368.412 3.508 20 10 FHCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(N(C)C)cc1 ZINC000376110660 940323624 /nfs/dbraw/zinc/32/36/24/940323624.db2.gz DVAUNULJWMFGAP-VHSSKADRSA-N 1 0 356.470 3.584 20 10 FHCDRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c(O)c1O ZINC000177677746 940348966 /nfs/dbraw/zinc/34/89/66/940348966.db2.gz FNJNICHYHRIZNP-UHFFFAOYSA-N 1 0 372.490 3.516 20 10 FHCDRO C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000376133369 940353011 /nfs/dbraw/zinc/35/30/11/940353011.db2.gz TWMGZOXMVFWDGW-GOSISDBHSA-N 1 0 351.494 3.691 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccoc1 ZINC000178189627 940789286 /nfs/dbraw/zinc/78/92/86/940789286.db2.gz VQFCWCMTSMKTQC-ZDUSSCGKSA-N 1 0 354.372 3.986 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c(O)c1OC ZINC000892575414 940819113 /nfs/dbraw/zinc/81/91/13/940819113.db2.gz WESVEHOBCJTPNB-CYBMUJFWSA-N 1 0 361.438 3.586 20 10 FHCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N2CCCCC2)cc1 ZINC000178195409 940824027 /nfs/dbraw/zinc/82/40/27/940824027.db2.gz AIWRGFOUIRPXKA-QUCCMNQESA-N 1 0 365.525 3.787 20 10 FHCDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnc1F ZINC000892622456 940999820 /nfs/dbraw/zinc/99/98/20/940999820.db2.gz QEAIOQBIHSXAOY-GJZGRUSLSA-N 1 0 361.436 3.572 20 10 FHCDRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(N(C)C)cc3)CC2)CC1 ZINC000162132998 941003175 /nfs/dbraw/zinc/00/31/75/941003175.db2.gz DZLIDLFMSQVGIQ-UHFFFAOYSA-N 1 0 372.557 3.595 20 10 FHCDRO CCOCOc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000782952600 941328887 /nfs/dbraw/zinc/32/88/87/941328887.db2.gz MUFKBNWJAGCWMH-SFHVURJKSA-N 1 0 370.493 3.747 20 10 FHCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1O ZINC000783031702 941783169 /nfs/dbraw/zinc/78/31/69/941783169.db2.gz VXLCRCVWSAIYQE-UHFFFAOYSA-N 1 0 359.445 3.623 20 10 FHCDRO COc1cccc(C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)c1O ZINC000377631251 941856618 /nfs/dbraw/zinc/85/66/18/941856618.db2.gz RLMQJMLNIDWFDW-UHFFFAOYSA-N 1 0 357.841 3.745 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](N(C)Cc3ccccn3)CC2)c1 ZINC000377705658 941915827 /nfs/dbraw/zinc/91/58/27/941915827.db2.gz XSMCPAAADSBTFT-IEBWSBKVSA-N 1 0 369.509 3.843 20 10 FHCDRO COc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c(O)c1OC ZINC000893065778 941964612 /nfs/dbraw/zinc/96/46/12/941964612.db2.gz BXKZZPAFQTTZGO-RXVVDRJESA-N 1 0 371.477 3.975 20 10 FHCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC000893098707 942035151 /nfs/dbraw/zinc/03/51/51/942035151.db2.gz RXPFTGSUIDCVOI-VQIMIIECSA-N 1 0 370.493 3.552 20 10 FHCDRO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571583 942245727 /nfs/dbraw/zinc/24/57/27/942245727.db2.gz HIENBTIAQBUZFX-LJQANCHMSA-N 1 0 365.521 3.814 20 10 FHCDRO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571598 942245874 /nfs/dbraw/zinc/24/58/74/942245874.db2.gz GHKHXSIHZDVYQW-GOSISDBHSA-N 1 0 357.542 3.946 20 10 FHCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000180490543 942374662 /nfs/dbraw/zinc/37/46/62/942374662.db2.gz WNEQZSSSTLWYLN-UHFFFAOYSA-N 1 0 368.408 3.674 20 10 FHCDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC000237066005 942505597 /nfs/dbraw/zinc/50/55/97/942505597.db2.gz QWKKLKIGEJTUEI-MRXNPFEDSA-N 1 0 359.901 3.819 20 10 FHCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001167735281 942581410 /nfs/dbraw/zinc/58/14/10/942581410.db2.gz XQRXIXLAQHUUDP-HNNXBMFYSA-N 1 0 356.249 3.571 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC000182322737 942715897 /nfs/dbraw/zinc/71/58/97/942715897.db2.gz WQXWGPAXSARAOR-PCKAHOCUSA-N 1 0 360.498 3.621 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2nc(-c3ccccc3)no2)c1 ZINC000182409557 942733532 /nfs/dbraw/zinc/73/35/32/942733532.db2.gz SALOJTNULKSAMV-CQSZACIVSA-N 1 0 353.422 3.734 20 10 FHCDRO COc1ccc([C@@H]([NH2+]Cc2cc(OC)ccc2O)C2CCOCC2)cc1 ZINC000378456539 942783169 /nfs/dbraw/zinc/78/31/69/942783169.db2.gz OSJZTAWHHDAGNT-OAQYLSRUSA-N 1 0 357.450 3.667 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280947450 942819934 /nfs/dbraw/zinc/81/99/34/942819934.db2.gz JIBPYVRESRTDDK-NHYWBVRUSA-N 1 0 371.355 3.684 20 10 FHCDRO C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cc(Cl)ccc1O ZINC000273410911 942950396 /nfs/dbraw/zinc/95/03/96/942950396.db2.gz PNOYATCDSOQOAJ-SECBINFHSA-N 1 0 370.762 3.958 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c(O)c1C ZINC000273442910 942958486 /nfs/dbraw/zinc/95/84/86/942958486.db2.gz ZBFCJRQNPFIOAP-QGZVFWFLSA-N 1 0 352.478 3.982 20 10 FHCDRO COCCn1ncc2c1[C@H]([NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363908869 943029217 /nfs/dbraw/zinc/02/92/17/943029217.db2.gz MTWMQCYUOQWJME-FOIQADDNSA-N 1 0 369.509 3.842 20 10 FHCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2O)c1 ZINC000185487098 943174809 /nfs/dbraw/zinc/17/48/09/943174809.db2.gz FPVJLOXIXIEYEW-QKKBWIMNSA-N 1 0 367.445 3.947 20 10 FHCDRO C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(F)ccc1O ZINC000185629820 943196885 /nfs/dbraw/zinc/19/68/85/943196885.db2.gz CCZDLYGNUHOGJR-INIZCTEOSA-N 1 0 370.468 3.663 20 10 FHCDRO Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000187595370 943368551 /nfs/dbraw/zinc/36/85/51/943368551.db2.gz ISXMUGVWHMQRFG-QGZVFWFLSA-N 1 0 358.432 3.791 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccccc2)C1 ZINC000435644055 943524569 /nfs/dbraw/zinc/52/45/69/943524569.db2.gz BBJJEIOOOODABO-UHFFFAOYSA-N 1 0 361.489 3.724 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C=CCCC2)C1 ZINC000435814223 943787112 /nfs/dbraw/zinc/78/71/12/943787112.db2.gz RUAIZIYDMHPAGQ-QGZVFWFLSA-N 1 0 351.494 3.633 20 10 FHCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000053529717 944309742 /nfs/dbraw/zinc/30/97/42/944309742.db2.gz MWIZUAWRRLXGAL-SFHVURJKSA-N 1 0 374.554 3.649 20 10 FHCDRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894347862 944318407 /nfs/dbraw/zinc/31/84/07/944318407.db2.gz SYZLRAOPGAGKTI-UHFFFAOYSA-N 1 0 359.466 3.723 20 10 FHCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000297374675 944340719 /nfs/dbraw/zinc/34/07/19/944340719.db2.gz QROCUHKMRRWSOE-HOTGVXAUSA-N 1 0 355.438 3.843 20 10 FHCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1OC ZINC000894744671 944545607 /nfs/dbraw/zinc/54/56/07/944545607.db2.gz CMNZSGPWCSBAAB-LBPRGKRZSA-N 1 0 353.340 3.604 20 10 FHCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167982692 944554880 /nfs/dbraw/zinc/55/48/80/944554880.db2.gz FWLTYAZSXMXXKQ-LZLYRXPVSA-N 1 0 373.415 3.873 20 10 FHCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167982689 944555407 /nfs/dbraw/zinc/55/54/07/944555407.db2.gz FWLTYAZSXMXXKQ-JZXOWHBKSA-N 1 0 373.415 3.873 20 10 FHCDRO COc1ccnc(N2CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)c1 ZINC000729468469 944559340 /nfs/dbraw/zinc/55/93/40/944559340.db2.gz SSPHXIQGOQEFRD-UHFFFAOYSA-N 1 0 355.482 3.550 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000780526571 944583998 /nfs/dbraw/zinc/58/39/98/944583998.db2.gz HDHWWSBKMPQKOY-UHFFFAOYSA-N 1 0 352.457 3.735 20 10 FHCDRO COc1cc(C)cc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1O ZINC000894781776 944605996 /nfs/dbraw/zinc/60/59/96/944605996.db2.gz HMGGWDIPWWTCLJ-DOTOQJQBSA-N 1 0 359.491 3.710 20 10 FHCDRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297259461 944771313 /nfs/dbraw/zinc/77/13/13/944771313.db2.gz JWUXLQSPYMAJGB-SFHVURJKSA-N 1 0 353.466 3.772 20 10 FHCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)NC(=O)OC(C)(C)C ZINC000195142816 944812434 /nfs/dbraw/zinc/81/24/34/944812434.db2.gz IAXMSDWURFYMJR-QWRGUYRKSA-N 1 0 373.291 3.719 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280947442 945476808 /nfs/dbraw/zinc/47/68/08/945476808.db2.gz JIBPYVRESRTDDK-ABAIWWIYSA-N 1 0 371.355 3.684 20 10 FHCDRO COc1cc(C)cc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1O ZINC000894474608 945747936 /nfs/dbraw/zinc/74/79/36/945747936.db2.gz VFNDNIHHQVMYJZ-UHFFFAOYSA-N 1 0 371.481 3.520 20 10 FHCDRO COc1ccc(N2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC2)cc1F ZINC001168066536 945936290 /nfs/dbraw/zinc/93/62/90/945936290.db2.gz AESBKHXPQDNHKF-FPOVZHCZSA-N 1 0 370.468 3.877 20 10 FHCDRO CC(C)(C)c1cccc2c1OCCN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662809235 946033494 /nfs/dbraw/zinc/03/34/94/946033494.db2.gz NHRLDTFAWFOVGB-UHFFFAOYSA-N 1 0 350.462 3.669 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c(O)c1 ZINC000840759971 946178902 /nfs/dbraw/zinc/17/89/02/946178902.db2.gz PYLPCRKWADGNJH-AWEZNQCLSA-N 1 0 362.420 3.666 20 10 FHCDRO CC(C)(C)c1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000236742666 946433944 /nfs/dbraw/zinc/43/39/44/946433944.db2.gz PVOZLOSMZVUUSA-UHFFFAOYSA-N 1 0 369.571 3.900 20 10 FHCDRO C[NH+](C)Cc1ccc(NCc2cc(Br)ccc2O)c(F)c1 ZINC000840958943 946977646 /nfs/dbraw/zinc/97/76/46/946977646.db2.gz WSVOEOVEGGZRHT-UHFFFAOYSA-N 1 0 353.235 3.968 20 10 FHCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825285100 947143398 /nfs/dbraw/zinc/14/33/98/947143398.db2.gz JMZSTGDVYOAFIM-OAHLLOKOSA-N 1 0 351.454 3.936 20 10 FHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c(Cl)c1 ZINC000840876659 947280116 /nfs/dbraw/zinc/28/01/16/947280116.db2.gz RRFBKZPGTSTUEA-UHFFFAOYSA-N 1 0 358.869 3.766 20 10 FHCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c(Cl)c1 ZINC000840876821 947301203 /nfs/dbraw/zinc/30/12/03/947301203.db2.gz OLYDNAUJTRVUSG-MRXNPFEDSA-N 1 0 366.914 3.579 20 10 FHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000165184163 947704202 /nfs/dbraw/zinc/70/42/02/947704202.db2.gz YXEKVQFQJITAEQ-OAHLLOKOSA-N 1 0 373.428 3.730 20 10 FHCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cc(Cl)cc(C)c3O)n2)c1 ZINC000278863943 947744523 /nfs/dbraw/zinc/74/45/23/947744523.db2.gz FDNZGQISPLJZEW-GFCCVEGCSA-N 1 0 357.845 3.693 20 10 FHCDRO Cc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000728882167 948089622 /nfs/dbraw/zinc/08/96/22/948089622.db2.gz HMKJYAHUSLVCNA-UHFFFAOYSA-N 1 0 353.510 3.816 20 10 FHCDRO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccccc1O ZINC000760040350 948298778 /nfs/dbraw/zinc/29/87/78/948298778.db2.gz JLMJYWLKHDBTBH-DZGCQCFKSA-N 1 0 364.283 3.657 20 10 FHCDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000168268819 948573349 /nfs/dbraw/zinc/57/33/49/948573349.db2.gz PZIWMXQWWXUXKA-QGZVFWFLSA-N 1 0 363.521 3.577 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000823731857 606751729 /nfs/dbraw/zinc/75/17/29/606751729.db2.gz GABIXWIYQBDILP-UHFFFAOYSA-N 1 0 363.465 3.907 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821164478 607085966 /nfs/dbraw/zinc/08/59/66/607085966.db2.gz DSSQWWXDAINWAD-LSDHHAIUSA-N 1 0 350.470 3.735 20 10 FHCDRO Cc1cc(C)c(O)c(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1 ZINC000826263539 607846530 /nfs/dbraw/zinc/84/65/30/607846530.db2.gz GNEHJVJGMAXJSA-UHFFFAOYSA-N 1 0 351.454 3.600 20 10 FHCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435300 608550510 /nfs/dbraw/zinc/55/05/10/608550510.db2.gz SRMBTDLOTUYBLL-CQSZACIVSA-N 1 0 368.460 3.655 20 10 FHCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)c1 ZINC000826291798 608570519 /nfs/dbraw/zinc/57/05/19/608570519.db2.gz WMEUIIYXHPGSGM-UHFFFAOYSA-N 1 0 351.454 3.539 20 10 FHCDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000121997064 936313870 /nfs/dbraw/zinc/31/38/70/936313870.db2.gz CXPYKKHIFFYZOX-CQSZACIVSA-N 1 0 359.857 3.600 20 10 FHCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1C ZINC000122036804 937090786 /nfs/dbraw/zinc/09/07/86/937090786.db2.gz QDJFJGVJAJAPMX-UHFFFAOYSA-N 1 0 353.466 3.795 20 10 FHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1OC ZINC000160214660 927348749 /nfs/dbraw/zinc/34/87/49/927348749.db2.gz ZSAZFOPIWCQROZ-GOSISDBHSA-N 1 0 356.466 3.813 20 10 FHCDRO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(Br)cc1O ZINC000799727966 927802934 /nfs/dbraw/zinc/80/29/34/927802934.db2.gz CRMDQCMCDJYHKX-BBRMVZONSA-N 1 0 364.283 3.799 20 10 FHCDRO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(Br)cc1O ZINC000799727969 927807861 /nfs/dbraw/zinc/80/78/61/927807861.db2.gz CRMDQCMCDJYHKX-XJKSGUPXSA-N 1 0 364.283 3.799 20 10 FHCDRO COc1ccc(N2CCC([NH2+]C[C@H](c3cccs3)N(C)C)CC2)cc1 ZINC000155068233 937282787 /nfs/dbraw/zinc/28/27/87/937282787.db2.gz RJEYKSYXXJHTIU-LJQANCHMSA-N 1 0 359.539 3.618 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000471497468 930016878 /nfs/dbraw/zinc/01/68/78/930016878.db2.gz WXULVKGQTNGHTG-UHFFFAOYSA-N 1 0 356.514 3.550 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000471501612 930047752 /nfs/dbraw/zinc/04/77/52/930047752.db2.gz ZMAZSNFZJMFZDI-INIZCTEOSA-N 1 0 356.514 3.550 20 10 FHCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046751637 930330370 /nfs/dbraw/zinc/33/03/70/930330370.db2.gz PKGHFQCQOHAKDV-GOSISDBHSA-N 1 0 360.546 3.549 20 10 FHCDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000160425328 930365062 /nfs/dbraw/zinc/36/50/62/930365062.db2.gz JHPQKCIAAIYIOE-AWEZNQCLSA-N 1 0 362.495 3.938 20 10 FHCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)c1O ZINC000187634095 930429446 /nfs/dbraw/zinc/42/94/46/930429446.db2.gz KURAOWMMJVWKHX-SLYNCCJLSA-N 1 0 357.450 3.506 20 10 FHCDRO CC1(C)CCc2cc(N(Cc3ccccc3)C3(C[NH3+])COC3)ccc2O1 ZINC001167378200 930487268 /nfs/dbraw/zinc/48/72/68/930487268.db2.gz GYPUVKARCABYNE-UHFFFAOYSA-N 1 0 352.478 3.525 20 10 FHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1Cn1cccn1 ZINC000160554262 930879846 /nfs/dbraw/zinc/87/98/46/930879846.db2.gz HIVQJEQFKHDWHG-KRWDZBQOSA-N 1 0 364.493 3.857 20 10 FHCDRO CCc1cc2ncnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2s1 ZINC001167426183 930948660 /nfs/dbraw/zinc/94/86/60/930948660.db2.gz AHYDJQCZUNABDP-UHFFFAOYSA-N 1 0 367.522 3.618 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)cc4cc[nH]c43)cc2)CC1 ZINC001167426508 930949604 /nfs/dbraw/zinc/94/96/04/930949604.db2.gz HFHKVWOAKXGKNT-UHFFFAOYSA-N 1 0 355.873 3.580 20 10 FHCDRO Cc1csc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc12 ZINC001167426479 930950120 /nfs/dbraw/zinc/95/01/20/930950120.db2.gz GMFPESKOZJPFPO-UHFFFAOYSA-N 1 0 352.507 3.969 20 10 FHCDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)c1CC(C)C ZINC001167431024 931030986 /nfs/dbraw/zinc/03/09/86/931030986.db2.gz BVDXIKGXRNUVFD-UHFFFAOYSA-N 1 0 367.541 3.656 20 10 FHCDRO COc1ccc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2n1 ZINC001167431201 931037258 /nfs/dbraw/zinc/03/72/58/931037258.db2.gz MBYOLXPSWYMGND-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO COc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC001167434475 931143400 /nfs/dbraw/zinc/14/34/00/931143400.db2.gz LTSXKIUTWLPWMJ-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000091957496 931293505 /nfs/dbraw/zinc/29/35/05/931293505.db2.gz MJVZMLXCHWVFAV-HOCLYGCPSA-N 1 0 366.255 3.836 20 10 FHCDRO C[N@H+](CCCNCc1c(O)cccc1Br)Cc1ccccc1 ZINC000706861293 931796245 /nfs/dbraw/zinc/79/62/45/931796245.db2.gz CVTREYWCRGGESX-UHFFFAOYSA-N 1 0 363.299 3.766 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)CC2)cc1 ZINC000157416632 932513910 /nfs/dbraw/zinc/51/39/10/932513910.db2.gz XZQFDJOSZSPBOA-DXPJPUQTSA-N 1 0 372.534 3.752 20 10 FHCDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(OC)c(OC)c1O ZINC000891477154 932627827 /nfs/dbraw/zinc/62/78/27/932627827.db2.gz BEDQGXIXGTXJOG-UHFFFAOYSA-N 1 0 372.465 3.569 20 10 FHCDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000178202278 932872579 /nfs/dbraw/zinc/87/25/79/932872579.db2.gz PIDWGAWZYNXRIS-OAHLLOKOSA-N 1 0 365.399 3.849 20 10 FHCDRO C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000101595655 932982994 /nfs/dbraw/zinc/98/29/94/932982994.db2.gz ZJZZYDOJLGYUDV-STQMWFEESA-N 1 0 361.313 3.678 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000277154246 934636799 /nfs/dbraw/zinc/63/67/99/934636799.db2.gz QMJHZQYSRKDJDA-ZDUSSCGKSA-N 1 0 366.914 3.660 20 10 FHCDRO C[C@@H]([NH2+]CCc1cscn1)c1ccc(N2CCOCC2)cc1Cl ZINC000134854806 934783417 /nfs/dbraw/zinc/78/34/17/934783417.db2.gz UEMFPAJBTDRRRV-CYBMUJFWSA-N 1 0 351.903 3.526 20 10 FHCDRO COc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(O)c1OC ZINC000892075672 934940996 /nfs/dbraw/zinc/94/09/96/934940996.db2.gz LZUOKUPKFUZMSK-UHFFFAOYSA-N 1 0 373.293 3.726 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000472152414 935209566 /nfs/dbraw/zinc/20/95/66/935209566.db2.gz GPNBJXQMTHXJBW-MRXNPFEDSA-N 1 0 356.514 3.550 20 10 FHCDRO CCCc1cccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000588506642 935311355 /nfs/dbraw/zinc/31/13/55/935311355.db2.gz AVWREUPJHFFNMS-GHRIWEEISA-N 1 0 360.548 3.935 20 10 FHCDRO O=C(c1ccccc1F)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113321709 935816445 /nfs/dbraw/zinc/81/64/45/935816445.db2.gz KQLLVDYFOAFKCI-UHFFFAOYSA-N 1 0 362.832 3.579 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000472239528 935917081 /nfs/dbraw/zinc/91/70/81/935917081.db2.gz LBNXGHBXBLIVGA-GOSISDBHSA-N 1 0 368.525 3.647 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C1CCOCC1 ZINC000152958718 935921220 /nfs/dbraw/zinc/92/12/20/935921220.db2.gz VHFFDRKROIUDKL-CQSZACIVSA-N 1 0 372.431 3.959 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127327571 938264062 /nfs/dbraw/zinc/26/40/62/938264062.db2.gz PHWAQWSHDDFUGO-FUHWJXTLSA-N 1 0 362.489 3.805 20 10 FHCDRO COc1ccc(N2CCC([NH2+]Cc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000157333856 938356809 /nfs/dbraw/zinc/35/68/09/938356809.db2.gz IQYNBGGSAGAAPO-UHFFFAOYSA-N 1 0 371.428 3.929 20 10 FHCDRO COc1ccc(CNc2ccccc2C[NH+]2CCSCC2)c(O)c1OC ZINC000892352461 938380743 /nfs/dbraw/zinc/38/07/43/938380743.db2.gz IRPZNAMDRXABJD-UHFFFAOYSA-N 1 0 374.506 3.570 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(N2CCOCC2)c(F)c1 ZINC000130650084 938426296 /nfs/dbraw/zinc/42/62/96/938426296.db2.gz HTAHSINCUYVQPX-IFXJQAMLSA-N 1 0 356.441 3.706 20 10 FHCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000310052964 939113743 /nfs/dbraw/zinc/11/37/43/939113743.db2.gz UKIYZVCPEYRXSF-DOMZBBRYSA-N 1 0 354.878 3.923 20 10 FHCDRO CN(C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC(C)(C)C ZINC000179450014 939164504 /nfs/dbraw/zinc/16/45/04/939164504.db2.gz ZARIXTBGWUOGHK-CYBMUJFWSA-N 1 0 354.878 3.734 20 10 FHCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278793688 940025878 /nfs/dbraw/zinc/02/58/78/940025878.db2.gz QMMATKAQOHPQDA-YMRXKLBXSA-N 1 0 373.324 3.727 20 10 FHCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1O ZINC000177279526 940073582 /nfs/dbraw/zinc/07/35/82/940073582.db2.gz GIIFNTHTSZEJEY-UHFFFAOYSA-N 1 0 367.424 3.990 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(N(C)C)cc1 ZINC000376061487 940256662 /nfs/dbraw/zinc/25/66/62/940256662.db2.gz IKYNSAKBYPDGCK-CQSZACIVSA-N 1 0 374.916 3.690 20 10 FHCDRO COc1cc(O)c(C[NH2+]Cc2cccc(-c3cccnc3)c2)cc1OC ZINC000376367698 940852424 /nfs/dbraw/zinc/85/24/24/940852424.db2.gz LQRBWBKAVGJHDU-UHFFFAOYSA-N 1 0 350.418 3.761 20 10 FHCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1O ZINC000376506589 941095779 /nfs/dbraw/zinc/09/57/79/941095779.db2.gz QNZAWWOWIHEAFC-QGZVFWFLSA-N 1 0 362.901 3.577 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000066688248 941149188 /nfs/dbraw/zinc/14/91/88/941149188.db2.gz GEDLZHKOPYQQGC-IBGZPJMESA-N 1 0 355.482 3.617 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000066688250 941149239 /nfs/dbraw/zinc/14/92/39/941149239.db2.gz GEDLZHKOPYQQGC-LJQANCHMSA-N 1 0 355.482 3.617 20 10 FHCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)CC12CCC2 ZINC000311270733 941163327 /nfs/dbraw/zinc/16/33/27/941163327.db2.gz HHNLBJWHNLCTFG-MRXNPFEDSA-N 1 0 364.461 3.943 20 10 FHCDRO Cc1cc(O)c(C[N@H+](CCO)Cc2cc(Br)cs2)cc1C ZINC000756122323 941365100 /nfs/dbraw/zinc/36/51/00/941365100.db2.gz PVQHQQBBFONHMJ-UHFFFAOYSA-N 1 0 370.312 3.828 20 10 FHCDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000376756347 941418968 /nfs/dbraw/zinc/41/89/68/941418968.db2.gz CPUUMIYKZSYXCL-YLJYHZDGSA-N 1 0 366.505 3.692 20 10 FHCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)c2ccccc2C1 ZINC000377343635 941657869 /nfs/dbraw/zinc/65/78/69/941657869.db2.gz FIHBAFNVHZOLIC-QFIPXVFZSA-N 1 0 363.505 3.652 20 10 FHCDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000729261602 941702814 /nfs/dbraw/zinc/70/28/14/941702814.db2.gz BCOJHFOTUZCYBZ-JOCHJYFZSA-N 1 0 365.521 3.768 20 10 FHCDRO C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccccc1O ZINC000117881610 941709672 /nfs/dbraw/zinc/70/96/72/941709672.db2.gz GCXPEYQEIALRQR-JOCHJYFZSA-N 1 0 358.290 3.939 20 10 FHCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000729346504 941726458 /nfs/dbraw/zinc/72/64/58/941726458.db2.gz XXBIBTSRIJBNCY-OAQYLSRUSA-N 1 0 357.542 3.804 20 10 FHCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC000309809476 941770946 /nfs/dbraw/zinc/77/09/46/941770946.db2.gz MFLVDMXNOVCTMM-CQSZACIVSA-N 1 0 363.299 3.765 20 10 FHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](N(C)Cc2noc(C)n2)CC1 ZINC000377625391 941849972 /nfs/dbraw/zinc/84/99/72/941849972.db2.gz MGQKAASAJNZKPV-FUHWJXTLSA-N 1 0 358.486 3.521 20 10 FHCDRO Cc1cccc(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)c1O ZINC000180411878 942363860 /nfs/dbraw/zinc/36/38/60/942363860.db2.gz MLYHLZRCWCHTME-UHFFFAOYSA-N 1 0 351.349 3.663 20 10 FHCDRO CC(C)(C)c1cc(C[NH2+]CCc2nnc3n2CCC3)c(O)c(C(C)(C)C)c1 ZINC000236666811 942424053 /nfs/dbraw/zinc/42/40/53/942424053.db2.gz VBRRKZYNPNTKOQ-UHFFFAOYSA-N 1 0 370.541 3.857 20 10 FHCDRO CCOc1cc(Cl)ccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893186955 942486776 /nfs/dbraw/zinc/48/67/76/942486776.db2.gz JKZCKMVBWOKFTN-UHFFFAOYSA-N 1 0 351.830 3.751 20 10 FHCDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)n1-c1cccc(C)c1 ZINC000261842135 942635572 /nfs/dbraw/zinc/63/55/72/942635572.db2.gz PSCLVLGIHAAHKW-UHFFFAOYSA-N 1 0 351.494 3.618 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc3ccccc3c2)c1 ZINC000182340555 942718744 /nfs/dbraw/zinc/71/87/44/942718744.db2.gz ANWMPWXKOGOMOP-YJBOKZPZSA-N 1 0 367.445 3.645 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)c(O)c1 ZINC000363853950 942856526 /nfs/dbraw/zinc/85/65/26/942856526.db2.gz LGWLJUZOHDJUMN-SJLPKXTDSA-N 1 0 362.477 3.549 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)ccc1O ZINC000363855749 942860992 /nfs/dbraw/zinc/86/09/92/942860992.db2.gz NPGSBONDHNFJCN-LBPRGKRZSA-N 1 0 373.254 3.586 20 10 FHCDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Br)ccc1O ZINC000273519239 942976145 /nfs/dbraw/zinc/97/61/45/942976145.db2.gz TXNNLYLYFARSDE-BMIGLBTASA-N 1 0 354.219 3.678 20 10 FHCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc2ccccc2c1O ZINC000273525954 942977831 /nfs/dbraw/zinc/97/78/31/942977831.db2.gz VEQUKUIINIHAPH-XERREHJYSA-N 1 0 351.446 3.681 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc(Cl)ccc1O ZINC000273574619 942989135 /nfs/dbraw/zinc/98/91/35/942989135.db2.gz LKVSTAPGMLVVNV-CYBMUJFWSA-N 1 0 362.857 3.849 20 10 FHCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000363910692 943034666 /nfs/dbraw/zinc/03/46/66/943034666.db2.gz RTXIFQZEPJRUCM-VAKZPMALSA-N 1 0 358.526 3.502 20 10 FHCDRO Cc1cccc([C@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)N2CCOCC2)c1 ZINC000185011265 943082275 /nfs/dbraw/zinc/08/22/75/943082275.db2.gz KUAPZTMFGMOANV-RXVVDRJESA-N 1 0 354.494 3.733 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c(O)c1 ZINC000760017138 943089263 /nfs/dbraw/zinc/08/92/63/943089263.db2.gz LBPNAVFSUBEKTA-PKOBYXMFSA-N 1 0 356.535 3.969 20 10 FHCDRO COCC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000272514624 943169355 /nfs/dbraw/zinc/16/93/55/943169355.db2.gz GXVMFPWURAOPTR-CRAIPNDOSA-N 1 0 362.445 3.684 20 10 FHCDRO COCCn1ncc2c1[C@@H]([NH2+]Cc1c(O)ccc3ccccc31)CCC2 ZINC000363967586 943234310 /nfs/dbraw/zinc/23/43/10/943234310.db2.gz GUGWXTZCNQTDRQ-IBGZPJMESA-N 1 0 351.450 3.556 20 10 FHCDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000802660649 943258868 /nfs/dbraw/zinc/25/88/68/943258868.db2.gz RZEPYYSYBSCLET-HXUWFJFHSA-N 1 0 364.461 3.754 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(C)CCC2)C1 ZINC000435818205 943773559 /nfs/dbraw/zinc/77/35/59/943773559.db2.gz OBIANTASNSMGRJ-UHFFFAOYSA-N 1 0 353.510 3.714 20 10 FHCDRO C[NH2+]CCC1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000261972445 944369431 /nfs/dbraw/zinc/36/94/31/944369431.db2.gz BNAPBFWQCJXYGF-UHFFFAOYSA-N 1 0 353.510 3.864 20 10 FHCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2O)CC12CCC2 ZINC000311270731 944485621 /nfs/dbraw/zinc/48/56/21/944485621.db2.gz HHNLBJWHNLCTFG-INIZCTEOSA-N 1 0 364.461 3.943 20 10 FHCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CSCCS2)ccc1N1CCCCC1 ZINC000759836008 944496592 /nfs/dbraw/zinc/49/65/92/944496592.db2.gz WCTHUMJWNSSFKA-OAHLLOKOSA-N 1 0 367.540 3.523 20 10 FHCDRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000759835242 944500100 /nfs/dbraw/zinc/50/01/00/944500100.db2.gz CEKQXHIVMQSVNL-NSHDSACASA-N 1 0 364.239 3.604 20 10 FHCDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000311307603 944624679 /nfs/dbraw/zinc/62/46/79/944624679.db2.gz XAQYPUDNBGWEIH-GDBMZVCRSA-N 1 0 364.486 3.669 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c(O)c1OC ZINC000894809605 944655916 /nfs/dbraw/zinc/65/59/16/944655916.db2.gz WYODFSIHVFLFCZ-NRFANRHFSA-N 1 0 371.477 3.793 20 10 FHCDRO CC[C@H](c1ccccc1)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759872779 944661317 /nfs/dbraw/zinc/66/13/17/944661317.db2.gz PABNPBSWDHVVBQ-LJQANCHMSA-N 1 0 370.493 3.986 20 10 FHCDRO C[C@@H](c1ccccc1)N(Cc1ncnn1CCF)Cc1ccccc1O ZINC000281750791 945841622 /nfs/dbraw/zinc/84/16/22/945841622.db2.gz XWRIPTDLXFJUCL-INIZCTEOSA-N 1 0 354.429 3.717 20 10 FHCDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000236727184 946222946 /nfs/dbraw/zinc/22/29/46/946222946.db2.gz JAXNVESWPIBXQG-UHFFFAOYSA-N 1 0 353.510 3.750 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000179058618 946353154 /nfs/dbraw/zinc/35/31/54/946353154.db2.gz VJNYUBWZOSYXTE-OAQYLSRUSA-N 1 0 365.521 3.671 20 10 FHCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000302898799 946374851 /nfs/dbraw/zinc/37/48/51/946374851.db2.gz OBHLMSLPXYHUHL-UHFFFAOYSA-N 1 0 372.557 3.694 20 10 FHCDRO COc1ccc(N2CCC[N@H+](CCOc3ccccc3Cl)CC2)cc1 ZINC000302927428 946388846 /nfs/dbraw/zinc/38/88/46/946388846.db2.gz BGVSRGABLXDBFA-UHFFFAOYSA-N 1 0 360.885 3.940 20 10 FHCDRO OCC1(C(F)(F)F)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000897034202 946503043 /nfs/dbraw/zinc/50/30/43/946503043.db2.gz JBJPOIDXIJRXKH-UHFFFAOYSA-N 1 0 356.432 3.814 20 10 FHCDRO CCN(C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1)CC(F)(F)F ZINC000840915938 946758932 /nfs/dbraw/zinc/75/89/32/946758932.db2.gz DERBBPKVLDKEFU-MRXNPFEDSA-N 1 0 357.464 3.767 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000840935337 946837856 /nfs/dbraw/zinc/83/78/56/946837856.db2.gz MDSAJEICCASXIS-UHFFFAOYSA-N 1 0 357.464 3.815 20 10 FHCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897260962 947057854 /nfs/dbraw/zinc/05/78/54/947057854.db2.gz UDPLMHZHHYKLSR-HXUWFJFHSA-N 1 0 353.462 3.565 20 10 FHCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000164496794 947571250 /nfs/dbraw/zinc/57/12/50/947571250.db2.gz CVDIFCGEEHDWPZ-BEFAXECRSA-N 1 0 357.498 3.978 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1 ZINC000760035665 947736755 /nfs/dbraw/zinc/73/67/55/947736755.db2.gz CDZTXNXWAXXNHJ-ARBPTSGCSA-N 1 0 373.468 3.964 20 10 FHCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2cc(Cl)cc3c2OCC3)cc1OC ZINC000897338651 947753015 /nfs/dbraw/zinc/75/30/15/947753015.db2.gz VDIYWWQERPYRNB-NSHDSACASA-N 1 0 363.841 3.849 20 10 FHCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1OC ZINC000163014947 948231373 /nfs/dbraw/zinc/23/13/73/948231373.db2.gz PVVNQRMZRLWJKL-HNNXBMFYSA-N 1 0 358.482 3.672 20 10 FHCDRO CC[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)ccc1O ZINC000278960859 948340385 /nfs/dbraw/zinc/34/03/85/948340385.db2.gz MIRIKHMVJUEICC-DOMZBBRYSA-N 1 0 364.287 3.655 20 10 FHCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC000178990515 948444377 /nfs/dbraw/zinc/44/43/77/948444377.db2.gz FJQXJYMXWJUNDM-GOSISDBHSA-N 1 0 353.510 3.899 20 10 FHCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC000178990527 948444402 /nfs/dbraw/zinc/44/44/02/948444402.db2.gz FJQXJYMXWJUNDM-SFHVURJKSA-N 1 0 353.510 3.899 20 10 FHCDRO COc1cccc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)c1O ZINC000237221834 948566571 /nfs/dbraw/zinc/56/65/71/948566571.db2.gz QFXQOPRMHLQXET-UHFFFAOYSA-N 1 0 371.355 3.640 20 10 FHCDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000359971057 132375957 /nfs/dbraw/zinc/37/59/57/132375957.db2.gz AYDVJGWVRWJYFN-VXKWHMMOSA-N 1 0 355.526 3.652 20 10 FHCDRO CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1cc(Br)ccc1O ZINC000185210617 567821939 /nfs/dbraw/zinc/82/19/39/567821939.db2.gz VMSUSUYPIIKWMG-MRXNPFEDSA-N 1 0 350.256 3.888 20 10 FHCDRO Cc1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(C)n1-c1cccc(C)c1 ZINC000737381243 598465791 /nfs/dbraw/zinc/46/57/91/598465791.db2.gz XRKHCDXMXWFGCJ-UHFFFAOYSA-N 1 0 372.476 3.872 20 10 FHCDRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCCCC2)cc1 ZINC000820432965 606996882 /nfs/dbraw/zinc/99/68/82/606996882.db2.gz UNDHKZLFLSYRRL-INIZCTEOSA-N 1 0 362.481 3.708 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000825417592 609328032 /nfs/dbraw/zinc/32/80/32/609328032.db2.gz RVLBXAVPQAOEMD-CQSZACIVSA-N 1 0 368.460 3.703 20 10 FHCDRO COCCOc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000160174322 927088801 /nfs/dbraw/zinc/08/88/01/927088801.db2.gz XUYOUJACJNMVLZ-OAQYLSRUSA-N 1 0 371.477 3.599 20 10 FHCDRO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(Br)cc1O ZINC000799727967 927805430 /nfs/dbraw/zinc/80/54/30/927805430.db2.gz CRMDQCMCDJYHKX-CJNGLKHVSA-N 1 0 364.283 3.799 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154663638 929135837 /nfs/dbraw/zinc/13/58/37/929135837.db2.gz ZYNLAFPZZWHEDW-HNNXBMFYSA-N 1 0 355.457 3.766 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796675332 929991837 /nfs/dbraw/zinc/99/18/37/929991837.db2.gz MIKYDIPDQUIJRN-HNNXBMFYSA-N 1 0 370.497 3.767 20 10 FHCDRO CC(C)(C)c1cc(C[NH2+]CCCN2CCOC2=O)c(O)c(C(C)(C)C)c1 ZINC000728301788 930903307 /nfs/dbraw/zinc/90/33/07/930903307.db2.gz OPYQGCDFGKWQJT-UHFFFAOYSA-N 1 0 362.514 3.919 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cnc(-c4ccccc4)nc3)cc2)CC1 ZINC001167434099 931136362 /nfs/dbraw/zinc/13/63/62/931136362.db2.gz BLNBFDVVPLISDD-UHFFFAOYSA-N 1 0 359.477 3.508 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c5c(ccnc35)CCO4)cc2)CC1 ZINC001167436864 931266009 /nfs/dbraw/zinc/26/60/09/931266009.db2.gz DCTSYXHNILYCTL-UHFFFAOYSA-N 1 0 374.488 3.534 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)OC(C)(C)O4)cc2)CC1 ZINC001167437660 931300379 /nfs/dbraw/zinc/30/03/79/931300379.db2.gz XXSBXDKUWDOOOF-UHFFFAOYSA-N 1 0 353.466 3.558 20 10 FHCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000157056948 931810243 /nfs/dbraw/zinc/81/02/43/931810243.db2.gz FELYHKIRYYGXSZ-HNNXBMFYSA-N 1 0 372.465 3.649 20 10 FHCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000157063394 931815765 /nfs/dbraw/zinc/81/57/65/931815765.db2.gz COKSQUQIFGSTQI-FQEVSTJZSA-N 1 0 356.441 3.763 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccco1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891395278 932052322 /nfs/dbraw/zinc/05/23/22/932052322.db2.gz XEAFIMXCMSLCRX-ZWKOTPCHSA-N 1 0 361.413 3.621 20 10 FHCDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cnn1C(C)(C)C ZINC000276295267 932146325 /nfs/dbraw/zinc/14/63/25/932146325.db2.gz BUUPEFOZZFIGEH-INIZCTEOSA-N 1 0 356.514 3.634 20 10 FHCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000891552639 932746907 /nfs/dbraw/zinc/74/69/07/932746907.db2.gz CSNKNNMYFRCHEY-MRXNPFEDSA-N 1 0 373.449 3.764 20 10 FHCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccsc3)CC2)cc1 ZINC000178423272 934086902 /nfs/dbraw/zinc/08/69/02/934086902.db2.gz NETCQXLBGVIXSQ-KRWDZBQOSA-N 1 0 359.539 3.620 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000472012064 934825500 /nfs/dbraw/zinc/82/55/00/934825500.db2.gz WSEMGMRGCDGGMZ-UHFFFAOYSA-N 1 0 368.525 3.693 20 10 FHCDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(OC)c(OC)c1O)CCC2 ZINC000892141395 935108054 /nfs/dbraw/zinc/10/80/54/935108054.db2.gz SQYKMSIKSLMAAH-CQSZACIVSA-N 1 0 362.495 3.938 20 10 FHCDRO C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000158107651 935571277 /nfs/dbraw/zinc/57/12/77/935571277.db2.gz JMSRGCFCXXICMF-QZTJIDSGSA-N 1 0 364.505 3.910 20 10 FHCDRO COCc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000158523830 935615979 /nfs/dbraw/zinc/61/59/79/935615979.db2.gz XYZVVAXAMWSVRP-INIZCTEOSA-N 1 0 358.457 3.660 20 10 FHCDRO CCCOc1ccc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c(O)c1 ZINC000277635109 935763717 /nfs/dbraw/zinc/76/37/17/935763717.db2.gz LIXMMMFDSLOHON-IBGZPJMESA-N 1 0 367.449 3.946 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2-n2nc(C)cc2C)c1O ZINC000894330506 945135889 /nfs/dbraw/zinc/13/58/89/945135889.db2.gz PPDPNLGDVZJWKQ-UHFFFAOYSA-N 1 0 351.450 3.802 20 10 FHCDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160897330 936158246 /nfs/dbraw/zinc/15/82/46/936158246.db2.gz PSEPKHKXPWEHQA-UWJYYQICSA-N 1 0 372.484 3.827 20 10 FHCDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000278294604 938289915 /nfs/dbraw/zinc/28/99/15/938289915.db2.gz BZIFEQFTHRIGFQ-KBPBESRZSA-N 1 0 361.436 3.572 20 10 FHCDRO CSCC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1nnc2ccccn21 ZINC000294761772 945164520 /nfs/dbraw/zinc/16/45/20/945164520.db2.gz YKJJZJOVWOBPAH-KRWDZBQOSA-N 1 0 369.538 3.688 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccco1 ZINC000163409671 938371575 /nfs/dbraw/zinc/37/15/75/938371575.db2.gz XEXOKNKNHNKSSO-ZDUSSCGKSA-N 1 0 354.372 3.986 20 10 FHCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000158875128 938591083 /nfs/dbraw/zinc/59/10/83/938591083.db2.gz FDASWPKOYWKLBG-UHFFFAOYSA-N 1 0 369.461 3.813 20 10 FHCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000176992485 939027309 /nfs/dbraw/zinc/02/73/09/939027309.db2.gz IFUXYBLSNNXHKJ-UHFFFAOYSA-N 1 0 361.493 3.890 20 10 FHCDRO CC[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1O ZINC000376075074 940275549 /nfs/dbraw/zinc/27/55/49/940275549.db2.gz STXGNOWQQZZILQ-INIZCTEOSA-N 1 0 361.873 3.719 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000066145152 940302420 /nfs/dbraw/zinc/30/24/20/940302420.db2.gz GMMGGJRRFOEURL-ZROIWOOFSA-N 1 0 352.500 3.615 20 10 FHCDRO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000026641586 945316566 /nfs/dbraw/zinc/31/65/66/945316566.db2.gz VIQJGXQUWZBQCF-UHFFFAOYSA-N 1 0 364.420 3.643 20 10 FHCDRO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000376146326 940367975 /nfs/dbraw/zinc/36/79/75/940367975.db2.gz DRELPPNIPLCIRY-GAJHUEQPSA-N 1 0 366.505 3.612 20 10 FHCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000177968638 940494128 /nfs/dbraw/zinc/49/41/28/940494128.db2.gz AEDKUUQJRHQHDN-AWEZNQCLSA-N 1 0 366.914 3.531 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(OC)c(OC)c1 ZINC000894399463 945356400 /nfs/dbraw/zinc/35/64/00/945356400.db2.gz UFQYKODDVGUCNG-HNNXBMFYSA-N 1 0 361.438 3.668 20 10 FHCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892620758 940998095 /nfs/dbraw/zinc/99/80/95/940998095.db2.gz CLNRAATVKXEPCO-OKILXGFUSA-N 1 0 361.461 3.588 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000066699660 941222362 /nfs/dbraw/zinc/22/23/62/941222362.db2.gz YZGGVCOSWCAYPP-SFHVURJKSA-N 1 0 361.530 3.826 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000311300220 941226070 /nfs/dbraw/zinc/22/60/70/941226070.db2.gz JOMYFXYASUYNNY-JJRVBVJISA-N 1 0 364.486 3.839 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2nc(-c3ccccc3)no2)c1 ZINC000376893692 941460970 /nfs/dbraw/zinc/46/09/70/941460970.db2.gz QBQMZPGHHCEWPE-UONOGXRCSA-N 1 0 353.422 3.733 20 10 FHCDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000729261603 941702687 /nfs/dbraw/zinc/70/26/87/941702687.db2.gz BCOJHFOTUZCYBZ-QFIPXVFZSA-N 1 0 365.521 3.768 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000280232619 942141163 /nfs/dbraw/zinc/14/11/63/942141163.db2.gz JQAXJKFTRIMEKG-WMLDXEAASA-N 1 0 374.472 3.916 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000280232631 942141345 /nfs/dbraw/zinc/14/13/45/942141345.db2.gz JQAXJKFTRIMEKG-YOEHRIQHSA-N 1 0 374.472 3.916 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000280232604 942141467 /nfs/dbraw/zinc/14/14/67/942141467.db2.gz JQAXJKFTRIMEKG-RHSMWYFYSA-N 1 0 374.472 3.916 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000280232588 942141724 /nfs/dbraw/zinc/14/17/24/942141724.db2.gz JQAXJKFTRIMEKG-PBHICJAKSA-N 1 0 374.472 3.916 20 10 FHCDRO CN(C)c1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181123546 942488384 /nfs/dbraw/zinc/48/83/84/942488384.db2.gz QQNVFOYPTCQUJE-UHFFFAOYSA-N 1 0 352.404 3.805 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1F ZINC000182103431 942671860 /nfs/dbraw/zinc/67/18/60/942671860.db2.gz ZIDTUJWOYQYRGJ-UQBPGWFLSA-N 1 0 362.514 3.881 20 10 FHCDRO COc1cc(O)c(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)cc1OC ZINC000182260603 942703378 /nfs/dbraw/zinc/70/33/78/942703378.db2.gz WXGNFOVGDSJFNL-HXUWFJFHSA-N 1 0 371.477 3.983 20 10 FHCDRO CN(C(=O)[C@@H]1CC12CC[NH+](Cc1c(O)ccc3ccccc31)CC2)C1CC1 ZINC000378437024 942762683 /nfs/dbraw/zinc/76/26/83/942762683.db2.gz RQPOROLMMQQQTA-FQEVSTJZSA-N 1 0 364.489 3.768 20 10 FHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000378449293 942783631 /nfs/dbraw/zinc/78/36/31/942783631.db2.gz FLAIFOLXYTZBMZ-AWEZNQCLSA-N 1 0 355.413 3.885 20 10 FHCDRO COC1CCC([NH2+]C[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000363854600 942850728 /nfs/dbraw/zinc/85/07/28/942850728.db2.gz UZSXSFYFZXRLTC-HPUBIQBYSA-N 1 0 372.431 3.959 20 10 FHCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000183445917 942874299 /nfs/dbraw/zinc/87/42/99/942874299.db2.gz QSILUCONCGBHMG-TZMCWYRMSA-N 1 0 355.356 3.502 20 10 FHCDRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(F)cc3[O-])CC2)cs1 ZINC000363860724 942877568 /nfs/dbraw/zinc/87/75/68/942877568.db2.gz GVZLIODHDIYNAC-CYBMUJFWSA-N 1 0 363.502 3.859 20 10 FHCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273349451 942937437 /nfs/dbraw/zinc/93/74/37/942937437.db2.gz BKCARQDCSNBTRM-IUIKQTSFSA-N 1 0 373.324 3.727 20 10 FHCDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000273371428 942942470 /nfs/dbraw/zinc/94/24/70/942942470.db2.gz FEVWBXRITSWXBB-WMZOPIPTSA-N 1 0 361.413 3.558 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000273497327 942971231 /nfs/dbraw/zinc/97/12/31/942971231.db2.gz PLGURRBSOVXBHP-MEDUHNTESA-N 1 0 366.255 3.548 20 10 FHCDRO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Br)ccc1O ZINC000273519242 942975873 /nfs/dbraw/zinc/97/58/73/942975873.db2.gz TXNNLYLYFARSDE-BONVTDFDSA-N 1 0 354.219 3.678 20 10 FHCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000273742975 943026347 /nfs/dbraw/zinc/02/63/47/943026347.db2.gz MDZZMUHDJPFYFG-QVQLBTGDSA-N 1 0 353.871 3.642 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cc1O ZINC000756528448 943620852 /nfs/dbraw/zinc/62/08/52/943620852.db2.gz YNYINZOHKVUKNF-SECBINFHSA-N 1 0 370.218 3.859 20 10 FHCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)c1O ZINC000894591723 944306026 /nfs/dbraw/zinc/30/60/26/944306026.db2.gz FSURBJRFLAYJSD-OAHLLOKOSA-N 1 0 370.449 3.859 20 10 FHCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000517674867 944482373 /nfs/dbraw/zinc/48/23/73/944482373.db2.gz CJAAPMACVVNVGB-IBGZPJMESA-N 1 0 371.525 3.509 20 10 FHCDRO OC1CCN(c2ccc(C[NH2+]CCSCc3ccccc3)cc2F)CC1 ZINC000193903962 944577748 /nfs/dbraw/zinc/57/77/48/944577748.db2.gz OZXKEIHJOILOHE-UHFFFAOYSA-N 1 0 374.525 3.810 20 10 FHCDRO OCC1CCN(c2ccc(C[NH2+]CCSCc3ccccc3)cc2)CC1 ZINC000193903987 944578179 /nfs/dbraw/zinc/57/81/79/944578179.db2.gz MFGXTBRUATXTBD-UHFFFAOYSA-N 1 0 370.562 3.918 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC(C)(C)F)C1 ZINC000618410445 944606493 /nfs/dbraw/zinc/60/64/93/944606493.db2.gz GPZLXQVPKLAKPI-UHFFFAOYSA-N 1 0 359.489 3.662 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)c1O ZINC000894356450 944666412 /nfs/dbraw/zinc/66/64/12/944666412.db2.gz KFVFYGCMSSCETQ-UHFFFAOYSA-N 1 0 371.477 3.695 20 10 FHCDRO COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1C ZINC001167983897 944686812 /nfs/dbraw/zinc/68/68/12/944686812.db2.gz OHNDQQLENNWWJM-LJQANCHMSA-N 1 0 369.461 3.668 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000281161930 945546617 /nfs/dbraw/zinc/54/66/17/945546617.db2.gz BMPGUBUHFWYCEP-LLVKDONJSA-N 1 0 356.344 3.588 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000281161933 945546721 /nfs/dbraw/zinc/54/67/21/945546721.db2.gz BMPGUBUHFWYCEP-NSHDSACASA-N 1 0 356.344 3.588 20 10 FHCDRO CCc1nccn1[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000843763702 945549537 /nfs/dbraw/zinc/54/95/37/945549537.db2.gz KZJDNLMEACECTJ-INIZCTEOSA-N 1 0 354.498 3.654 20 10 FHCDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000894432826 945637971 /nfs/dbraw/zinc/63/79/71/945637971.db2.gz VDCPKPFIKBMYJI-UHFFFAOYSA-N 1 0 352.276 3.839 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c1O ZINC000894883516 945696535 /nfs/dbraw/zinc/69/65/35/945696535.db2.gz YYPWETCOEQOLLO-MRXNPFEDSA-N 1 0 369.383 3.941 20 10 FHCDRO CC(C)c1nnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000301940768 946046896 /nfs/dbraw/zinc/04/68/96/946046896.db2.gz WCONDTIWLLQSOX-UHFFFAOYSA-N 1 0 371.554 3.806 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]3CCC[C@H]32)C1 ZINC000444279600 946164720 /nfs/dbraw/zinc/16/47/20/946164720.db2.gz GIUGJOKQASRJPS-YLJYHZDGSA-N 1 0 365.521 3.809 20 10 FHCDRO Clc1ncccc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125503796 946349721 /nfs/dbraw/zinc/34/97/21/946349721.db2.gz KIYHOOGATJGLRD-UHFFFAOYSA-N 1 0 370.928 3.557 20 10 FHCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(C)nn(C(C)C)c3C)C2)cc1 ZINC000895005802 946836399 /nfs/dbraw/zinc/83/63/99/946836399.db2.gz IKZYYWQVROXRLW-GOSISDBHSA-N 1 0 356.514 3.706 20 10 FHCDRO CC(C)[C@@H]1CCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444351337 947096422 /nfs/dbraw/zinc/09/64/22/947096422.db2.gz JSEYGSDIZWULJZ-IBGZPJMESA-N 1 0 353.510 3.665 20 10 FHCDRO COc1c([O-])c(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278857357 947546689 /nfs/dbraw/zinc/54/66/89/947546689.db2.gz LRYMLUDEBIWQPY-ZDUSSCGKSA-N 1 0 360.410 3.947 20 10 FHCDRO Cc1cc(C(=O)CN2CCC[C@@H]([NH+](C)C)CC2)c(C)n1-c1ccccc1 ZINC000759968153 948316928 /nfs/dbraw/zinc/31/69/28/948316928.db2.gz VRGQBAOHFPJXBI-LJQANCHMSA-N 1 0 353.510 3.693 20 10 FHCDRO CC[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)ccc1O ZINC000278960861 948340340 /nfs/dbraw/zinc/34/03/40/948340340.db2.gz MIRIKHMVJUEICC-SWLSCSKDSA-N 1 0 364.287 3.655 20 10 FHCDRO Cc1cc(C(=O)CN2CCC[C@H]([NH+](C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000759973641 948688812 /nfs/dbraw/zinc/68/88/12/948688812.db2.gz AEZJWMQJEOEXKX-IBGZPJMESA-N 1 0 371.500 3.832 20 10 FHCDRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(-c2ccccc2)ccc1O ZINC000825975988 608521508 /nfs/dbraw/zinc/52/15/08/608521508.db2.gz CUVHMNZLKHYJNA-UHFFFAOYSA-N 1 0 371.444 3.871 20 10 FHCDRO CCCn1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000160170489 927072422 /nfs/dbraw/zinc/07/24/22/927072422.db2.gz UJHGFMZYZKCVCH-LJQANCHMSA-N 1 0 357.498 3.797 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCO1 ZINC000160209036 927286847 /nfs/dbraw/zinc/28/68/47/927286847.db2.gz MTIJJFATQXRUNF-HXUWFJFHSA-N 1 0 363.461 3.964 20 10 FHCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(OC(F)(F)F)c1 ZINC000175753120 928302348 /nfs/dbraw/zinc/30/23/48/928302348.db2.gz FDPBRKAHBDSEGT-JTQLQIEISA-N 1 0 355.312 3.870 20 10 FHCDRO C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(F)c(F)cc1[O-])Cc1ccccc12 ZINC001279106094 928646293 /nfs/dbraw/zinc/64/62/93/928646293.db2.gz HJQGLFFXCZKASC-UHFFFAOYSA-N 1 0 358.432 3.650 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000248170093 937280768 /nfs/dbraw/zinc/28/07/68/937280768.db2.gz UORWMHUAURSCSH-QFBILLFUSA-N 1 0 351.494 3.878 20 10 FHCDRO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000120584697 929016758 /nfs/dbraw/zinc/01/67/58/929016758.db2.gz UKHFBUMROJXQAZ-UHFFFAOYSA-N 1 0 358.869 3.688 20 10 FHCDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330255 929927297 /nfs/dbraw/zinc/92/72/97/929927297.db2.gz ZJMKRRUJVNOARO-ROUUACIJSA-N 1 0 356.432 3.873 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000471552265 930464509 /nfs/dbraw/zinc/46/45/09/930464509.db2.gz RDAQGWNMIIWKFM-IBGZPJMESA-N 1 0 364.493 3.589 20 10 FHCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCCCCC3)cc1)CC2 ZINC000160454244 930491271 /nfs/dbraw/zinc/49/12/71/930491271.db2.gz FYGUSLXRQHIGIR-QFBILLFUSA-N 1 0 353.514 3.633 20 10 FHCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCCCCC3)cc1)CC2 ZINC000160454488 930491430 /nfs/dbraw/zinc/49/14/30/930491430.db2.gz FYGUSLXRQHIGIR-VQIMIIECSA-N 1 0 353.514 3.633 20 10 FHCDRO Cc1cscc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260464 930818332 /nfs/dbraw/zinc/81/83/32/930818332.db2.gz VDTZIJSVSBSHIW-OAHLLOKOSA-N 1 0 364.898 3.810 20 10 FHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000175837379 931093728 /nfs/dbraw/zinc/09/37/28/931093728.db2.gz OBAMPAAAYHASMR-WBVHZDCISA-N 1 0 363.454 3.884 20 10 FHCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000835046862 933768283 /nfs/dbraw/zinc/76/82/83/933768283.db2.gz WGSBECZEHDFJRH-SREVYHEPSA-N 1 0 371.525 3.923 20 10 FHCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccn1 ZINC000158773690 938250033 /nfs/dbraw/zinc/25/00/33/938250033.db2.gz OSEQZUQYTLIVRZ-LJQANCHMSA-N 1 0 357.473 3.813 20 10 FHCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccn1 ZINC000158773538 938252025 /nfs/dbraw/zinc/25/20/25/938252025.db2.gz OSEQZUQYTLIVRZ-IBGZPJMESA-N 1 0 357.473 3.813 20 10 FHCDRO CN(Cc1ncnn1CC(F)F)Cc1cc(-c2ccccc2)ccc1O ZINC000278536993 938516325 /nfs/dbraw/zinc/51/63/25/938516325.db2.gz BSHKYTKCUZCDRY-UHFFFAOYSA-N 1 0 358.392 3.548 20 10 FHCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000138501433 938969355 /nfs/dbraw/zinc/96/93/55/938969355.db2.gz NJAMJXVQDPZPOL-GOEBONIOSA-N 1 0 364.486 3.669 20 10 FHCDRO CCCOc1ccc(C[NH+]2CCC(c3noc(C(F)F)n3)CC2)c(O)c1 ZINC000376042505 940234359 /nfs/dbraw/zinc/23/43/59/940234359.db2.gz LSAQALHZAGXCQL-UHFFFAOYSA-N 1 0 367.396 3.881 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c(O)c1C ZINC000376063106 940259554 /nfs/dbraw/zinc/25/95/54/940259554.db2.gz XNNLJLFCWHQSOI-LXZKKBNFSA-N 1 0 357.454 3.840 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 ZINC000376070817 940271592 /nfs/dbraw/zinc/27/15/92/940271592.db2.gz VKTMDRGJMJLREY-CYBMUJFWSA-N 1 0 361.873 3.638 20 10 FHCDRO C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000376146327 940367820 /nfs/dbraw/zinc/36/78/20/940367820.db2.gz DRELPPNIPLCIRY-HXOBKFHXSA-N 1 0 366.505 3.612 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1 ZINC000178169083 940740883 /nfs/dbraw/zinc/74/08/83/940740883.db2.gz PWZAENJNCSCAGR-HNNXBMFYSA-N 1 0 359.901 3.877 20 10 FHCDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000892612693 940966146 /nfs/dbraw/zinc/96/61/46/940966146.db2.gz LWALPNNIQCHTLR-UHFFFAOYSA-N 1 0 358.555 3.924 20 10 FHCDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnc1F ZINC000892622458 940999787 /nfs/dbraw/zinc/99/97/87/940999787.db2.gz QEAIOQBIHSXAOY-HUUCEWRRSA-N 1 0 361.436 3.572 20 10 FHCDRO COc1cc(C[NH+]2CCC(Oc3cnccn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000782894257 941166232 /nfs/dbraw/zinc/16/62/32/941166232.db2.gz QYWHWGDSYDZEBC-UHFFFAOYSA-N 1 0 371.481 3.532 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000066702004 941231368 /nfs/dbraw/zinc/23/13/68/941231368.db2.gz IUOMPAFAMCTAFO-UHFFFAOYSA-N 1 0 369.509 3.966 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000311444304 941303330 /nfs/dbraw/zinc/30/33/30/941303330.db2.gz WADCNPYRWVJSPP-GOSISDBHSA-N 1 0 361.530 3.878 20 10 FHCDRO Cc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)n1-c1cccc(Cl)c1 ZINC000178860453 941722340 /nfs/dbraw/zinc/72/23/40/941722340.db2.gz ZIHCREROYFVSND-AWEZNQCLSA-N 1 0 359.901 3.947 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(Br)cc2F)c(O)c1OC ZINC000892974846 941825908 /nfs/dbraw/zinc/82/59/08/941825908.db2.gz ICNXHSDXCAEIEM-UHFFFAOYSA-N 1 0 370.218 3.601 20 10 FHCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1C ZINC000122616086 941948957 /nfs/dbraw/zinc/94/89/57/941948957.db2.gz YDORPBJRSNPKGB-UHFFFAOYSA-N 1 0 364.489 3.810 20 10 FHCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000280191437 942123633 /nfs/dbraw/zinc/12/36/33/942123633.db2.gz SFHPPWQLBWSDCV-ZDUSSCGKSA-N 1 0 353.509 3.715 20 10 FHCDRO Cc1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c(C)n1-c1ccccn1 ZINC000378186563 942366917 /nfs/dbraw/zinc/36/69/17/942366917.db2.gz DNVAJUDSAOYKJY-UHFFFAOYSA-N 1 0 360.461 3.541 20 10 FHCDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC000181486115 942555691 /nfs/dbraw/zinc/55/56/91/942555691.db2.gz AFVCKTATHOMQRM-UHFFFAOYSA-N 1 0 374.532 3.913 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(O)c1OC ZINC000893222830 942706977 /nfs/dbraw/zinc/70/69/77/942706977.db2.gz VXCDATRUMDWECR-YJBOKZPZSA-N 1 0 357.450 3.667 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000182345585 942719944 /nfs/dbraw/zinc/71/99/44/942719944.db2.gz LQDFYXQROYRNEH-DIFFPNOSSA-N 1 0 355.356 3.804 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c(O)c1C ZINC000363851069 942845057 /nfs/dbraw/zinc/84/50/57/942845057.db2.gz HTVTYRXMKCRJJX-DOTOQJQBSA-N 1 0 370.497 3.585 20 10 FHCDRO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862793 942879931 /nfs/dbraw/zinc/87/99/31/942879931.db2.gz ZEYJVWRAUCFFNS-WCFLWFBJSA-N 1 0 357.267 3.571 20 10 FHCDRO CN1CCCc2cc(C[NH2+]C3CCC(NC(=O)OC(C)(C)C)CC3)ccc21 ZINC000312204351 942910980 /nfs/dbraw/zinc/91/09/80/942910980.db2.gz AKRQCCZFWSZZMN-UHFFFAOYSA-N 1 0 373.541 3.995 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000273442973 942958462 /nfs/dbraw/zinc/95/84/62/942958462.db2.gz ZEJZKGJXYUZBCB-OAHLLOKOSA-N 1 0 373.518 3.666 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2N2CCOCC2)c(O)c1C ZINC000273606729 942995085 /nfs/dbraw/zinc/99/50/85/942995085.db2.gz UIOIQNQNBZRUAN-INIZCTEOSA-N 1 0 358.457 3.836 20 10 FHCDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(N(C)C)cc3)ccc2NC1=O ZINC000271966831 943076521 /nfs/dbraw/zinc/07/65/21/943076521.db2.gz IBLVTJJQNDVUEX-LIRRHRJNSA-N 1 0 353.466 3.713 20 10 FHCDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185522531 943179675 /nfs/dbraw/zinc/17/96/75/943179675.db2.gz IOFOTTQFJKIYKC-OAHLLOKOSA-N 1 0 352.478 3.524 20 10 FHCDRO COc1cccc(C[NH2+][C@H](c2nc(-c3ccccc3)no2)C(C)C)c1O ZINC000364043532 943396397 /nfs/dbraw/zinc/39/63/97/943396397.db2.gz UWQVLAVPLJMGTM-KRWDZBQOSA-N 1 0 353.422 3.938 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)c1O ZINC000894307520 943419836 /nfs/dbraw/zinc/41/98/36/943419836.db2.gz JLMSRGIXDMWEJY-GOSISDBHSA-N 1 0 351.450 3.516 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2C)C1 ZINC000435638931 943522448 /nfs/dbraw/zinc/52/24/48/943522448.db2.gz SASXGEGNBZJDCC-KRWDZBQOSA-N 1 0 353.510 3.809 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)[C@H]2C)C1 ZINC000435805323 943781827 /nfs/dbraw/zinc/78/18/27/943781827.db2.gz AHVUQEPKNODIAU-IAGOWNOFSA-N 1 0 353.510 3.665 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)[C@H]2C)C1 ZINC000435805318 943781947 /nfs/dbraw/zinc/78/19/47/943781947.db2.gz AHVUQEPKNODIAU-DLBZAZTESA-N 1 0 353.510 3.665 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC000435810158 943784504 /nfs/dbraw/zinc/78/45/04/943784504.db2.gz PBCYVXPCBRMOGA-KDURUIRLSA-N 1 0 365.521 3.522 20 10 FHCDRO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CCC1 ZINC000435854467 943810790 /nfs/dbraw/zinc/81/07/90/943810790.db2.gz GYLFULMQQGCXEC-UHFFFAOYSA-N 1 0 353.510 3.809 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](C)C2)C1 ZINC000436447221 944323021 /nfs/dbraw/zinc/32/30/21/944323021.db2.gz AQZFJYPCNQDKRD-KRWDZBQOSA-N 1 0 353.510 3.666 20 10 FHCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C(C)(C)O)cc3)CC2)cc1 ZINC000364366669 944477830 /nfs/dbraw/zinc/47/78/30/944477830.db2.gz VWGBMODGMNATIW-UHFFFAOYSA-N 1 0 354.494 3.681 20 10 FHCDRO COc1cc(N2CC[NH+](C[C@H]3CCC[C@H](C)C3)CC2)cc(OC)c1OC ZINC000759879063 944702826 /nfs/dbraw/zinc/70/28/26/944702826.db2.gz RFUGJZJCMKGFLM-IRXDYDNUSA-N 1 0 362.514 3.661 20 10 FHCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000281277500 945579491 /nfs/dbraw/zinc/57/94/91/945579491.db2.gz XHIQIHNQLQUUME-AEFFLSMTSA-N 1 0 361.505 3.725 20 10 FHCDRO Cc1cc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)ccc1F ZINC000728817351 945887412 /nfs/dbraw/zinc/88/74/12/945887412.db2.gz JVXJDHMCVYIFTQ-UHFFFAOYSA-N 1 0 367.468 3.918 20 10 FHCDRO CCOC(=O)c1cnc2ccccc2c1NCc1cccc(OC)c1O ZINC000301983569 946064911 /nfs/dbraw/zinc/06/49/11/946064911.db2.gz KDDGBUXEIFVTQL-UHFFFAOYSA-N 1 0 352.390 3.738 20 10 FHCDRO CC(C)(C)c1nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)no1 ZINC000302161423 946153318 /nfs/dbraw/zinc/15/33/18/946153318.db2.gz PJDNIEQVALFNCR-UHFFFAOYSA-N 1 0 369.513 3.511 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]3CCC[C@@H]32)C1 ZINC000444279599 946164983 /nfs/dbraw/zinc/16/49/83/946164983.db2.gz GIUGJOKQASRJPS-XLIONFOSSA-N 1 0 365.521 3.809 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000179058608 946353393 /nfs/dbraw/zinc/35/33/93/946353393.db2.gz VJNYUBWZOSYXTE-NRFANRHFSA-N 1 0 365.521 3.671 20 10 FHCDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1cc(Br)ccc1O ZINC000756758390 946518015 /nfs/dbraw/zinc/51/80/15/946518015.db2.gz DQEKEFRCHWZLGU-SNVBAGLBSA-N 1 0 371.662 3.933 20 10 FHCDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000840807885 946660942 /nfs/dbraw/zinc/66/09/42/946660942.db2.gz DRCFDAPBJSROAL-HNAYVOBHSA-N 1 0 355.478 3.706 20 10 FHCDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475190849 946666792 /nfs/dbraw/zinc/66/67/92/946666792.db2.gz LVYGNLSDJNLHDX-UHFFFAOYSA-N 1 0 354.450 3.802 20 10 FHCDRO O=C(NC1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1)C1CC1 ZINC000726962295 946754584 /nfs/dbraw/zinc/75/45/84/946754584.db2.gz VBJAUAXDQWDLCR-UHFFFAOYSA-N 1 0 364.445 3.782 20 10 FHCDRO Cc1cc(C)nc(N2CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)n1 ZINC000783602067 946808548 /nfs/dbraw/zinc/80/85/48/946808548.db2.gz DGTPGWJXJZWACX-UHFFFAOYSA-N 1 0 374.488 3.788 20 10 FHCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000178459377 946830818 /nfs/dbraw/zinc/83/08/18/946830818.db2.gz OBDIYRWPJFIETG-IIBYNOLFSA-N 1 0 358.457 3.701 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000840940467 946842967 /nfs/dbraw/zinc/84/29/67/946842967.db2.gz AHHWAJYIGWIYMF-UHFFFAOYSA-N 1 0 352.526 3.973 20 10 FHCDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000165184269 947703976 /nfs/dbraw/zinc/70/39/76/947703976.db2.gz YXEKVQFQJITAEQ-HNNXBMFYSA-N 1 0 373.428 3.730 20 10 FHCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000893565197 947725646 /nfs/dbraw/zinc/72/56/46/947725646.db2.gz ZWMKYGTZRPZMHK-WMZOPIPTSA-N 1 0 361.413 3.558 20 10 FHCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCCc2cc(OC(F)F)ccc21 ZINC000662524791 947888628 /nfs/dbraw/zinc/88/86/28/947888628.db2.gz PCIOWFIJFGWJHK-UHFFFAOYSA-N 1 0 358.388 3.527 20 10 FHCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000728881857 948093285 /nfs/dbraw/zinc/09/32/85/948093285.db2.gz TWNFMEUOCILDLC-UHFFFAOYSA-N 1 0 353.510 3.816 20 10 FHCDRO CCOc1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001168001819 948157684 /nfs/dbraw/zinc/15/76/84/948157684.db2.gz ILXWTCSGVWLHKB-CBQGHPETSA-N 1 0 369.553 3.613 20 10 FHCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccccc1O ZINC000760040356 948299149 /nfs/dbraw/zinc/29/91/49/948299149.db2.gz JLMJYWLKHDBTBH-UKRRQHHQSA-N 1 0 364.283 3.657 20 10 FHCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)c(O)c1OC ZINC000895117204 948742141 /nfs/dbraw/zinc/74/21/41/948742141.db2.gz PJFYMDNYVCOYEB-OAQYLSRUSA-N 1 0 369.461 3.569 20 10 FHCDRO Fc1cc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)ccc1N1CCOCC1 ZINC000328642312 210121239 /nfs/dbraw/zinc/12/12/39/210121239.db2.gz YKRSAQHZLGMPED-DENIHFKCSA-N 1 0 370.468 3.530 20 10 FHCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000038013758 211349995 /nfs/dbraw/zinc/34/99/95/211349995.db2.gz VUQXDBBVGYDRHG-FZMZJTMJSA-N 1 0 357.292 3.500 20 10 FHCDRO C[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000736814785 598617765 /nfs/dbraw/zinc/61/77/65/598617765.db2.gz UCBMBAZTXMYHLM-UHFFFAOYSA-N 1 0 371.444 3.871 20 10 FHCDRO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000161509706 937082256 /nfs/dbraw/zinc/08/22/56/937082256.db2.gz SSLMMGBVTBNRJN-SFHVURJKSA-N 1 0 352.478 3.755 20 10 FHCDRO COc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc(OC)c1 ZINC000160185183 927150388 /nfs/dbraw/zinc/15/03/88/927150388.db2.gz PNRYRXFWPXBXQO-GOSISDBHSA-N 1 0 357.450 3.591 20 10 FHCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124166464 937214640 /nfs/dbraw/zinc/21/46/40/937214640.db2.gz GNNAUAHTLAITRW-CQSZACIVSA-N 1 0 360.889 3.743 20 10 FHCDRO Cc1cc(O)c(C[N@@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)cc1C ZINC000728199330 928067322 /nfs/dbraw/zinc/06/73/22/928067322.db2.gz SSGLLUGTCJLITQ-HXUWFJFHSA-N 1 0 368.521 3.732 20 10 FHCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382444384 930084407 /nfs/dbraw/zinc/08/44/07/930084407.db2.gz IIFKSWMUULNYRF-GDBMZVCRSA-N 1 0 364.486 3.574 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160535002 930812784 /nfs/dbraw/zinc/81/27/84/930812784.db2.gz YIRXGRUNOPXNEC-MRXNPFEDSA-N 1 0 357.473 3.579 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)nc4[nH]ccc43)cc2)CC1 ZINC001167423086 930920209 /nfs/dbraw/zinc/92/02/09/930920209.db2.gz MHZWOQNLTRGFJJ-UHFFFAOYSA-N 1 0 355.873 3.580 20 10 FHCDRO CCCOc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC001167436988 931280562 /nfs/dbraw/zinc/28/05/62/931280562.db2.gz JYWNFTFTOBSQGL-UHFFFAOYSA-N 1 0 354.498 3.543 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(F)F)C1 ZINC000684341897 932331278 /nfs/dbraw/zinc/33/12/78/932331278.db2.gz NJDNNLMXKHPNBR-UHFFFAOYSA-N 1 0 363.452 3.568 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2cccc(F)c2F)SC1=S ZINC000255342174 932406711 /nfs/dbraw/zinc/40/67/11/932406711.db2.gz OOFHAHQVLWRSOD-MDWZMJQESA-N 1 0 370.490 3.754 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccc(N(C)C)cc1 ZINC000161055836 932871452 /nfs/dbraw/zinc/87/14/52/932871452.db2.gz SPAMTZAKEGXBBY-SFHVURJKSA-N 1 0 361.489 3.813 20 10 FHCDRO C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000101593292 932983134 /nfs/dbraw/zinc/98/31/34/932983134.db2.gz SBDBFDQSZKRFLW-UHFFFAOYSA-N 1 0 369.292 3.929 20 10 FHCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000089638079 933514543 /nfs/dbraw/zinc/51/45/43/933514543.db2.gz MJNXXUQABXTHQQ-SJORKVTESA-N 1 0 352.544 3.541 20 10 FHCDRO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@@H]1CCOC1 ZINC000176103567 933584246 /nfs/dbraw/zinc/58/42/46/933584246.db2.gz DEFVKJWGYPUPPV-LBPRGKRZSA-N 1 0 350.256 3.776 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1C ZINC000277172282 934733561 /nfs/dbraw/zinc/73/35/61/934733561.db2.gz SCAWEGPUXAFBDB-CYBMUJFWSA-N 1 0 367.898 3.917 20 10 FHCDRO CC[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000127447934 935221684 /nfs/dbraw/zinc/22/16/84/935221684.db2.gz CNRXSIQYHYSGBY-OAQYLSRUSA-N 1 0 374.550 3.798 20 10 FHCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000176680027 935799398 /nfs/dbraw/zinc/79/93/98/935799398.db2.gz CRUOHCHBPWGBEV-CQSZACIVSA-N 1 0 366.383 3.634 20 10 FHCDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588551444 936164675 /nfs/dbraw/zinc/16/46/75/936164675.db2.gz RNNWTXHOIVTXOP-UHFFFAOYSA-N 1 0 367.453 3.545 20 10 FHCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119940181 936168229 /nfs/dbraw/zinc/16/82/29/936168229.db2.gz VXNBZNIFIVWLPK-MRXNPFEDSA-N 1 0 357.473 3.579 20 10 FHCDRO CC(C)CCn1cccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000161768810 938303591 /nfs/dbraw/zinc/30/35/91/938303591.db2.gz RWHASKJRQOLEMN-UHFFFAOYSA-N 1 0 373.516 3.924 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccco1 ZINC000163409855 938372006 /nfs/dbraw/zinc/37/20/06/938372006.db2.gz XEXOKNKNHNKSSO-CYBMUJFWSA-N 1 0 354.372 3.986 20 10 FHCDRO COc1cc(Br)cc(C[N@H+](C)Cc2cnc(C)s2)c1O ZINC000179381151 939138934 /nfs/dbraw/zinc/13/89/34/939138934.db2.gz HRSDAOWLWAFBFC-UHFFFAOYSA-N 1 0 357.273 3.560 20 10 FHCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278793683 940025298 /nfs/dbraw/zinc/02/52/98/940025298.db2.gz QMMATKAQOHPQDA-JECHBYEQSA-N 1 0 373.324 3.727 20 10 FHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 ZINC000376070818 940271361 /nfs/dbraw/zinc/27/13/61/940271361.db2.gz VKTMDRGJMJLREY-ZDUSSCGKSA-N 1 0 361.873 3.638 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000066145134 940302206 /nfs/dbraw/zinc/30/22/06/940302206.db2.gz LPBGNMSPTYLBDI-ZROIWOOFSA-N 1 0 352.500 3.615 20 10 FHCDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892646722 941070520 /nfs/dbraw/zinc/07/05/20/941070520.db2.gz YHIWJQDGOJOBMG-CQSZACIVSA-N 1 0 372.465 3.684 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c(O)c1OC ZINC000892693098 941313295 /nfs/dbraw/zinc/31/32/95/941313295.db2.gz BSMOMVQZOVZPNH-AEFFLSMTSA-N 1 0 361.413 3.558 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)c(O)c1OC ZINC000892864989 941629739 /nfs/dbraw/zinc/62/97/39/941629739.db2.gz FWLFKPVIHQJULP-IBGZPJMESA-N 1 0 370.493 3.726 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237089407 941725976 /nfs/dbraw/zinc/72/59/76/941725976.db2.gz RUYWIMBKRQJYBY-KRWDZBQOSA-N 1 0 361.530 3.798 20 10 FHCDRO COc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c(O)c1OC ZINC000893065780 941964678 /nfs/dbraw/zinc/96/46/78/941964678.db2.gz BXKZZPAFQTTZGO-WIYYLYMNSA-N 1 0 371.477 3.975 20 10 FHCDRO CC[C@H]([NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(C)cc1O ZINC000280007365 942085408 /nfs/dbraw/zinc/08/54/08/942085408.db2.gz GLCNWGOJNWIPRO-ZBFHGGJFSA-N 1 0 351.454 3.991 20 10 FHCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N(C)CC1CC1)Cc1ccccc1O ZINC000179643973 942263423 /nfs/dbraw/zinc/26/34/23/942263423.db2.gz SFNXHCOATUTVIY-QGZVFWFLSA-N 1 0 352.478 3.824 20 10 FHCDRO COc1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(O)cc1C ZINC000180276576 942347015 /nfs/dbraw/zinc/34/70/15/942347015.db2.gz APIFDSYNBODVSQ-UHFFFAOYSA-N 1 0 369.387 3.762 20 10 FHCDRO Cc1ncsc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000584560772 942355270 /nfs/dbraw/zinc/35/52/70/942355270.db2.gz APBZBIZJQVRITG-UHFFFAOYSA-N 1 0 368.506 3.811 20 10 FHCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1C ZINC000378344798 942613043 /nfs/dbraw/zinc/61/30/43/942613043.db2.gz CQIWBNQZAAIIHW-MRXNPFEDSA-N 1 0 365.437 3.576 20 10 FHCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc2C1 ZINC000378501582 942833023 /nfs/dbraw/zinc/83/30/23/942833023.db2.gz TYRFJCQHZCAKDK-HSZRJFAPSA-N 1 0 363.505 3.870 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)c(O)c1C ZINC000363855876 942861071 /nfs/dbraw/zinc/86/10/71/942861071.db2.gz BHBXXQPZKSWBPY-ICSRJNTNSA-N 1 0 353.510 3.967 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862792 942880102 /nfs/dbraw/zinc/88/01/02/942880102.db2.gz ZEYJVWRAUCFFNS-UHTWSYAYSA-N 1 0 357.267 3.571 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1ccc2ccccc2c1O ZINC000363866646 942892860 /nfs/dbraw/zinc/89/28/60/942892860.db2.gz OXZGXQSZPIOOAJ-MAUKXSAKSA-N 1 0 361.445 3.506 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c(O)c1C ZINC000273417949 942952104 /nfs/dbraw/zinc/95/21/04/942952104.db2.gz RGFMSNKNDBOGRP-SFHVURJKSA-N 1 0 354.494 3.692 20 10 FHCDRO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(Br)cc1O ZINC000273445452 942958162 /nfs/dbraw/zinc/95/81/62/942958162.db2.gz DZRJYZZNSYVVIW-MEBBXXQBSA-N 1 0 354.219 3.678 20 10 FHCDRO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(Br)cc1O ZINC000273445447 942958440 /nfs/dbraw/zinc/95/84/40/942958440.db2.gz DZRJYZZNSYVVIW-BONVTDFDSA-N 1 0 354.219 3.678 20 10 FHCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc2ccccc2c1O ZINC000273525951 942977727 /nfs/dbraw/zinc/97/77/27/942977727.db2.gz VEQUKUIINIHAPH-KLHJMIIUSA-N 1 0 351.446 3.681 20 10 FHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000273760113 943031832 /nfs/dbraw/zinc/03/18/32/943031832.db2.gz OUIWHSQXPVXFFB-GFCCVEGCSA-N 1 0 363.845 3.694 20 10 FHCDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(N(C)C)cc3)ccc2NC1=O ZINC000271966830 943076236 /nfs/dbraw/zinc/07/62/36/943076236.db2.gz IBLVTJJQNDVUEX-KUHUBIRLSA-N 1 0 353.466 3.713 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c(O)c1 ZINC000760017130 943088593 /nfs/dbraw/zinc/08/85/93/943088593.db2.gz LBPNAVFSUBEKTA-HKUYNNGSSA-N 1 0 356.535 3.969 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(OC)c(OC(F)F)c2)c1 ZINC000185296489 943142700 /nfs/dbraw/zinc/14/27/00/943142700.db2.gz NYQLCFMTASOYFS-GFCCVEGCSA-N 1 0 367.392 3.904 20 10 FHCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc2c(cc1O)CCCC2 ZINC000185687407 943206324 /nfs/dbraw/zinc/20/63/24/943206324.db2.gz YYLLDCKIWRSPET-RHSMWYFYSA-N 1 0 355.457 3.735 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccco2)C1 ZINC000435651541 943538453 /nfs/dbraw/zinc/53/84/53/943538453.db2.gz UXLSSXSIWJSLDQ-UHFFFAOYSA-N 1 0 365.477 3.659 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC000760018326 943575102 /nfs/dbraw/zinc/57/51/02/943575102.db2.gz OBDNGTYKTIXEHU-IEBWSBKVSA-N 1 0 356.535 3.969 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC=CCC2)C1 ZINC000435860520 943814443 /nfs/dbraw/zinc/81/44/43/943814443.db2.gz PDYUWJRGVYVEBS-KRWDZBQOSA-N 1 0 351.494 3.633 20 10 FHCDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838843194 944004548 /nfs/dbraw/zinc/00/45/48/944004548.db2.gz LXJYAGIXKHUKGT-CQSZACIVSA-N 1 0 355.320 3.642 20 10 FHCDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000728783003 944124237 /nfs/dbraw/zinc/12/42/37/944124237.db2.gz WQTFOINFTCNHLR-CYBMUJFWSA-N 1 0 361.463 3.648 20 10 FHCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000053529721 944309914 /nfs/dbraw/zinc/30/99/14/944309914.db2.gz MWIZUAWRRLXGAL-GOSISDBHSA-N 1 0 374.554 3.649 20 10 FHCDRO COC(=O)c1[nH]c2ccccc2c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000894783429 944610278 /nfs/dbraw/zinc/61/02/78/944610278.db2.gz ULTQUGZOEHZLER-LBPRGKRZSA-N 1 0 354.406 3.520 20 10 FHCDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000108858918 945397892 /nfs/dbraw/zinc/39/78/92/945397892.db2.gz QKKRHTLAXQDAMW-YESZJQIVSA-N 1 0 368.525 3.585 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1O ZINC000894860213 945511022 /nfs/dbraw/zinc/51/10/22/945511022.db2.gz DOIQXBKSIUXFFM-AWEZNQCLSA-N 1 0 355.413 3.885 20 10 FHCDRO O=C1CCCN1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000093087874 945533163 /nfs/dbraw/zinc/53/31/63/945533163.db2.gz KLTSPTDXOBFQNP-UHFFFAOYSA-N 1 0 350.462 3.646 20 10 FHCDRO OCC1CCN(c2ccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281362941 945614151 /nfs/dbraw/zinc/61/41/51/945614151.db2.gz WEWVHLVRVNQMHX-QFIPXVFZSA-N 1 0 369.484 3.670 20 10 FHCDRO Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1F ZINC000108898593 945900320 /nfs/dbraw/zinc/90/03/20/945900320.db2.gz GSFYIHCEKNVIHM-UHFFFAOYSA-N 1 0 367.468 3.918 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC23CCC3)C1 ZINC000444255100 946132962 /nfs/dbraw/zinc/13/29/62/946132962.db2.gz XFQWGMXOAJONGZ-UHFFFAOYSA-N 1 0 351.494 3.563 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cc(F)ccc1O ZINC000310647615 946358899 /nfs/dbraw/zinc/35/88/99/946358899.db2.gz DUAPZPROXYECBF-KCQAQPDRSA-N 1 0 352.450 3.970 20 10 FHCDRO CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000840883534 946363433 /nfs/dbraw/zinc/36/34/33/946363433.db2.gz FFNCYFWCJHSNAH-HXUWFJFHSA-N 1 0 372.484 3.599 20 10 FHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000121311561 946537525 /nfs/dbraw/zinc/53/75/25/946537525.db2.gz RMLBBSICMXUUQH-UHFFFAOYSA-N 1 0 350.384 3.573 20 10 FHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CC(=O)NCCc1ccccc1 ZINC000475194396 946679336 /nfs/dbraw/zinc/67/93/36/946679336.db2.gz FBFNEVGBLMIWHX-QGZVFWFLSA-N 1 0 363.505 3.714 20 10 FHCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000475198737 946712041 /nfs/dbraw/zinc/71/20/41/946712041.db2.gz YFFMSODMGJQIKO-UHFFFAOYSA-N 1 0 374.444 3.895 20 10 FHCDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000897224836 946955204 /nfs/dbraw/zinc/95/52/04/946955204.db2.gz VTSIQCOWXSLYCJ-UHFFFAOYSA-N 1 0 363.461 3.872 20 10 FHCDRO c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000093704342 946967966 /nfs/dbraw/zinc/96/79/66/946967966.db2.gz BLHLSECHWOKEAM-NRFANRHFSA-N 1 0 351.494 3.600 20 10 FHCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCc3c2cccc3O)c1O ZINC000105486521 948042752 /nfs/dbraw/zinc/04/27/52/948042752.db2.gz XKGMAPPDMPHLIB-AWEZNQCLSA-N 1 0 364.239 3.646 20 10 FHCDRO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000925775858 948046874 /nfs/dbraw/zinc/04/68/74/948046874.db2.gz HVDXVMUICFPXRM-JOYOIKCWSA-N 1 0 353.240 3.985 20 10 FHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1O ZINC000278983588 948364378 /nfs/dbraw/zinc/36/43/78/948364378.db2.gz PEONLVWJGJTCFR-OLZOCXBDSA-N 1 0 364.287 3.573 20 10 FHCDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000821611223 607387258 /nfs/dbraw/zinc/38/72/58/607387258.db2.gz WMIZVBZQTSPXNQ-UHFFFAOYSA-N 1 0 368.510 3.551 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821164476 607085930 /nfs/dbraw/zinc/08/59/30/607085930.db2.gz DSSQWWXDAINWAD-GJZGRUSLSA-N 1 0 350.470 3.735 20 10 FHCDRO CCOc1ccc(O)c(C[N@H+](CC)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825643976 608551069 /nfs/dbraw/zinc/55/10/69/608551069.db2.gz YXWDLCUPFNALNT-CQSZACIVSA-N 1 0 367.453 3.554 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000825394501 609251617 /nfs/dbraw/zinc/25/16/17/609251617.db2.gz FPIJZHJBRPJSRI-HNNXBMFYSA-N 1 0 362.481 3.663 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1O ZINC000894391104 945069285 /nfs/dbraw/zinc/06/92/85/945069285.db2.gz APYDQMMCPLUDAY-QGZVFWFLSA-N 1 0 368.437 3.641 20 10 FHCDRO CCOc1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1O ZINC000160183967 927153648 /nfs/dbraw/zinc/15/36/48/927153648.db2.gz ABPYVLQWSFTXEZ-SFHVURJKSA-N 1 0 357.450 3.678 20 10 FHCDRO Oc1cc(F)c(F)cc1CN1CC[C@H]2C[N@H+](CCCC(F)(F)F)C[C@H]21 ZINC001279105569 927232992 /nfs/dbraw/zinc/23/29/92/927232992.db2.gz CPFBDTFWUFEMPV-XHDPSFHLSA-N 1 0 364.358 3.519 20 10 FHCDRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)C2)c1 ZINC000157501995 927792960 /nfs/dbraw/zinc/79/29/60/927792960.db2.gz YGKCJSWQMAITGB-ROUUACIJSA-N 1 0 353.510 3.938 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CCCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000154589089 937235780 /nfs/dbraw/zinc/23/57/80/937235780.db2.gz WIFJFWMATWLLTF-QGZVFWFLSA-N 1 0 357.542 3.975 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cn1 ZINC000274865455 928896419 /nfs/dbraw/zinc/89/64/19/928896419.db2.gz DPSLTXYGKIRGJX-CYBMUJFWSA-N 1 0 363.864 3.686 20 10 FHCDRO COc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(O)cc1C ZINC000160313575 929709191 /nfs/dbraw/zinc/70/91/91/929709191.db2.gz DFQFNPBICFPMLK-UHFFFAOYSA-N 1 0 372.421 3.661 20 10 FHCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000046751645 930330523 /nfs/dbraw/zinc/33/05/23/930330523.db2.gz VYUDDQWDJAZZPT-IBGZPJMESA-N 1 0 374.573 3.939 20 10 FHCDRO Cc1cc(OC(F)(F)F)ccc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167374385 930434885 /nfs/dbraw/zinc/43/48/85/930434885.db2.gz BIKFXGQYVUXUGQ-UHFFFAOYSA-N 1 0 366.383 3.628 20 10 FHCDRO Cc1cc(C(F)F)oc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245268 930517894 /nfs/dbraw/zinc/51/78/94/930517894.db2.gz BPXOVMZHHBURKO-OAHLLOKOSA-N 1 0 365.424 3.624 20 10 FHCDRO CN(C)c1ccc([C@H](CNC(=O)c2sccc2Cl)[NH+](C)C)cc1 ZINC000891246643 930526545 /nfs/dbraw/zinc/52/65/45/930526545.db2.gz CYLFXDNJFXSZQC-HNNXBMFYSA-N 1 0 351.903 3.500 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000175947789 930701208 /nfs/dbraw/zinc/70/12/08/930701208.db2.gz KOPGMJOBQJYALM-UHFFFAOYSA-N 1 0 373.472 3.585 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160534886 930812812 /nfs/dbraw/zinc/81/28/12/930812812.db2.gz YIRXGRUNOPXNEC-INIZCTEOSA-N 1 0 357.473 3.579 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000728301209 930912296 /nfs/dbraw/zinc/91/22/96/930912296.db2.gz LJOHPDIRQDEHLA-LJQANCHMSA-N 1 0 353.510 3.910 20 10 FHCDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(-c2ccccc2)n1 ZINC001167422895 930918455 /nfs/dbraw/zinc/91/84/55/930918455.db2.gz GFYVIIRVOUJXHR-UHFFFAOYSA-N 1 0 373.504 3.816 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cccc(-c4ccccn4)n3)cc2)CC1 ZINC001167426258 930948904 /nfs/dbraw/zinc/94/89/04/930948904.db2.gz DSHAEXZSVVMLHM-UHFFFAOYSA-N 1 0 359.477 3.508 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cncc(-c4ccccc4)n3)cc2)CC1 ZINC001167426186 930949114 /nfs/dbraw/zinc/94/91/14/930949114.db2.gz AKVBVKUCQBDXNA-UHFFFAOYSA-N 1 0 359.477 3.508 20 10 FHCDRO Cc1nccc(-c2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2)n1 ZINC001167434682 931152706 /nfs/dbraw/zinc/15/27/06/931152706.db2.gz RTIVYHPBHUJXOD-UHFFFAOYSA-N 1 0 373.504 3.816 20 10 FHCDRO C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000255241968 931405999 /nfs/dbraw/zinc/40/59/99/931405999.db2.gz ZOFGPAAFHDUFTH-KRWDZBQOSA-N 1 0 365.481 3.924 20 10 FHCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000157066604 931816586 /nfs/dbraw/zinc/81/65/86/931816586.db2.gz LVQIALCJTPNFIV-INIZCTEOSA-N 1 0 356.466 3.948 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccco1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891395276 932052281 /nfs/dbraw/zinc/05/22/81/932052281.db2.gz XEAFIMXCMSLCRX-QZTJIDSGSA-N 1 0 361.413 3.621 20 10 FHCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178070442 932293071 /nfs/dbraw/zinc/29/30/71/932293071.db2.gz RSPYLEXZSRKEEH-UKRRQHHQSA-N 1 0 364.440 3.650 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccc(N(C)C)cc1 ZINC000161055984 932871388 /nfs/dbraw/zinc/87/13/88/932871388.db2.gz SPAMTZAKEGXBBY-GOSISDBHSA-N 1 0 361.489 3.813 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000471893702 933538328 /nfs/dbraw/zinc/53/83/28/933538328.db2.gz UIMRURWTGZGACQ-UHFFFAOYSA-N 1 0 370.541 3.942 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1O ZINC000277017198 934454610 /nfs/dbraw/zinc/45/46/10/934454610.db2.gz CTNOJHFXZPFEEV-HNNXBMFYSA-N 1 0 353.871 3.690 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(Cl)ccc1O ZINC000277085290 934486231 /nfs/dbraw/zinc/48/62/31/934486231.db2.gz KBNOHXCQCNRASM-JTQLQIEISA-N 1 0 374.289 3.953 20 10 FHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277106522 934492732 /nfs/dbraw/zinc/49/27/32/934492732.db2.gz MBMRDWAJJSFJFX-LBPRGKRZSA-N 1 0 353.871 3.608 20 10 FHCDRO COc1ccc(CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000892101966 934999283 /nfs/dbraw/zinc/99/92/83/934999283.db2.gz PMJUCFZKNFKQOG-FZKQIMNGSA-N 1 0 361.413 3.511 20 10 FHCDRO CCOc1cccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c1O ZINC000105482400 935088575 /nfs/dbraw/zinc/08/85/75/935088575.db2.gz UEZZCAWYONYWQE-UHFFFAOYSA-N 1 0 356.397 3.917 20 10 FHCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000176675831 935768154 /nfs/dbraw/zinc/76/81/54/935768154.db2.gz SBKUBWWOOSZVIO-SFHVURJKSA-N 1 0 352.478 3.968 20 10 FHCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472228384 935771902 /nfs/dbraw/zinc/77/19/02/935771902.db2.gz DNLJGFHUGPTNKI-DOTOQJQBSA-N 1 0 356.514 3.501 20 10 FHCDRO C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000158432558 935798026 /nfs/dbraw/zinc/79/80/26/935798026.db2.gz PFAFUHNUKKLUAG-WMZOPIPTSA-N 1 0 370.468 3.879 20 10 FHCDRO C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000158432721 935798038 /nfs/dbraw/zinc/79/80/38/935798038.db2.gz PFAFUHNUKKLUAG-AEFFLSMTSA-N 1 0 370.468 3.879 20 10 FHCDRO C[C@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccc(N(C)C)cc1 ZINC000152831049 935869399 /nfs/dbraw/zinc/86/93/99/935869399.db2.gz JJHKXLAKWOTYBM-SFHVURJKSA-N 1 0 352.526 3.505 20 10 FHCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCN1C ZINC000152948572 935915998 /nfs/dbraw/zinc/91/59/98/935915998.db2.gz BKMMCQLVVGFMQG-HOCLYGCPSA-N 1 0 371.447 3.626 20 10 FHCDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588545224 936020057 /nfs/dbraw/zinc/02/00/57/936020057.db2.gz VAHDFPFAEQSLMW-UHFFFAOYSA-N 1 0 367.453 3.946 20 10 FHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)[NH+]3CCCCC3)ccc21 ZINC000728517667 936026584 /nfs/dbraw/zinc/02/65/84/936026584.db2.gz UDPYVQWAPPWPKZ-MRXNPFEDSA-N 1 0 371.525 3.509 20 10 FHCDRO CCOc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1F ZINC000278338005 938314669 /nfs/dbraw/zinc/31/46/69/938314669.db2.gz GNNYPYNGFVJGCK-UHFFFAOYSA-N 1 0 372.484 3.723 20 10 FHCDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157723625 938423075 /nfs/dbraw/zinc/42/30/75/938423075.db2.gz NTRZRVJGNMHNNM-SPYBWZPUSA-N 1 0 367.484 3.575 20 10 FHCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1OC ZINC000158861141 938592804 /nfs/dbraw/zinc/59/28/04/938592804.db2.gz FFBUAXGDSADMHI-AWEZNQCLSA-N 1 0 368.433 3.930 20 10 FHCDRO COc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1O ZINC000278691461 938656633 /nfs/dbraw/zinc/65/66/33/938656633.db2.gz IZGKACJBIQJHRA-UHFFFAOYSA-N 1 0 356.300 3.618 20 10 FHCDRO C[C@H]([NH2+]CCc1cscn1)c1ccc(N2CCOCC2)cc1Cl ZINC000134854784 938964084 /nfs/dbraw/zinc/96/40/84/938964084.db2.gz UEMFPAJBTDRRRV-ZDUSSCGKSA-N 1 0 351.903 3.526 20 10 FHCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000728594642 938992237 /nfs/dbraw/zinc/99/22/37/938992237.db2.gz SKYNNYOPNVBPLA-HXUWFJFHSA-N 1 0 372.557 3.550 20 10 FHCDRO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCCN1C(=O)OC(C)(C)C ZINC000310054252 939114511 /nfs/dbraw/zinc/11/45/11/939114511.db2.gz WJFGQKSRAYIWRG-IUODEOHRSA-N 1 0 354.878 3.923 20 10 FHCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000729475134 945271133 /nfs/dbraw/zinc/27/11/33/945271133.db2.gz QOLYRZUTPLZAJB-QHCPKHFHSA-N 1 0 365.521 3.842 20 10 FHCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000066203297 940334750 /nfs/dbraw/zinc/33/47/50/940334750.db2.gz JHSTYFRRELZPHG-GOSISDBHSA-N 1 0 360.546 3.549 20 10 FHCDRO O=C(CC1CCCC1)NC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000066859031 945331182 /nfs/dbraw/zinc/33/11/82/945331182.db2.gz KDMDUPPYCYKXEE-UHFFFAOYSA-N 1 0 356.510 3.542 20 10 FHCDRO CCOc1ccc(C[NH2+]CCOc2cccc(Br)c2)c(O)c1 ZINC000725849642 940604456 /nfs/dbraw/zinc/60/44/56/940604456.db2.gz OUEKZBUUAVXICV-UHFFFAOYSA-N 1 0 366.255 3.722 20 10 FHCDRO Cc1nc(CN2CCC[C@H]([NH2+][C@@H](C)c3ccc4ccccc4c3O)C2)no1 ZINC000376304419 940736600 /nfs/dbraw/zinc/73/66/00/940736600.db2.gz FJBNRQUTQNTVJK-YOEHRIQHSA-N 1 0 366.465 3.552 20 10 FHCDRO CC(C)Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000892728571 941485116 /nfs/dbraw/zinc/48/51/16/941485116.db2.gz DUZBNQLMSZMXTD-SFHVURJKSA-N 1 0 353.510 3.968 20 10 FHCDRO Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)no1 ZINC000377093883 941514216 /nfs/dbraw/zinc/51/42/16/941514216.db2.gz TYAUUBPCQYKYQB-CYBMUJFWSA-N 1 0 351.397 3.904 20 10 FHCDRO COc1ccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c(O)c1OC ZINC000892945384 941744991 /nfs/dbraw/zinc/74/49/91/941744991.db2.gz XDHGPJXPGIALTF-UHFFFAOYSA-N 1 0 372.396 3.536 20 10 FHCDRO COC[C@](C)(CCO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237118690 941908417 /nfs/dbraw/zinc/90/84/17/941908417.db2.gz RQXGTHMKLUWNLG-NRFANRHFSA-N 1 0 351.531 3.864 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(c3noc(C(F)F)n3)CC2)c1 ZINC000377706093 941915273 /nfs/dbraw/zinc/91/52/73/941915273.db2.gz YFYWVAPRILZNDC-SNVBAGLBSA-N 1 0 353.369 3.662 20 10 FHCDRO CC[C@@H](c1ccccc1O)[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000377902572 942061466 /nfs/dbraw/zinc/06/14/66/942061466.db2.gz FRNXYUPBAFSZAR-NRFANRHFSA-N 1 0 353.510 3.877 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015669 942108721 /nfs/dbraw/zinc/10/87/21/942108721.db2.gz GGEBSKPZLKSQSZ-FPOVZHCZSA-N 1 0 368.521 3.951 20 10 FHCDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015706 942119084 /nfs/dbraw/zinc/11/90/84/942119084.db2.gz GMSMZEYFWVMUAO-QFBILLFUSA-N 1 0 374.912 3.987 20 10 FHCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1N(C)C ZINC000271433808 942268910 /nfs/dbraw/zinc/26/89/10/942268910.db2.gz CHJHGFPTHKCYJI-INIZCTEOSA-N 1 0 353.466 3.868 20 10 FHCDRO C[C@@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000236673535 942449310 /nfs/dbraw/zinc/44/93/10/942449310.db2.gz YIFRLAVZFULBTG-ICSRJNTNSA-N 1 0 357.542 3.565 20 10 FHCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000181467652 942552478 /nfs/dbraw/zinc/55/24/78/942552478.db2.gz CBNJHROQCBBBOC-CQSZACIVSA-N 1 0 369.387 3.762 20 10 FHCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C[C@@H]1OC ZINC000181563773 942569338 /nfs/dbraw/zinc/56/93/38/942569338.db2.gz MEQRJOQKDXJMMA-RTWAWAEBSA-N 1 0 360.542 3.579 20 10 FHCDRO COCc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC000378444093 942771882 /nfs/dbraw/zinc/77/18/82/942771882.db2.gz VPDMLYNFUIEAPT-AWEZNQCLSA-N 1 0 361.873 3.670 20 10 FHCDRO COC1CCC([NH2+]C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000363854605 942850418 /nfs/dbraw/zinc/85/04/18/942850418.db2.gz UZSXSFYFZXRLTC-UQPPLGOBSA-N 1 0 372.431 3.959 20 10 FHCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)c1 ZINC000363855277 942859615 /nfs/dbraw/zinc/85/96/15/942859615.db2.gz NJOKFLOZLIJTOO-FUHWJXTLSA-N 1 0 362.477 3.549 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Br)ccc1O ZINC000273393068 942947024 /nfs/dbraw/zinc/94/70/24/942947024.db2.gz LEOUEBOXNIRDHI-HZMBPMFUSA-N 1 0 350.260 3.616 20 10 FHCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc2c(cc1O)CCCC2 ZINC000273409697 942950590 /nfs/dbraw/zinc/95/05/90/942950590.db2.gz PKCCYMBAAYUSFI-OAHLLOKOSA-N 1 0 352.478 3.824 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000273442971 942958211 /nfs/dbraw/zinc/95/82/11/942958211.db2.gz ZEJZKGJXYUZBCB-HNNXBMFYSA-N 1 0 373.518 3.666 20 10 FHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000272979026 943254205 /nfs/dbraw/zinc/25/42/05/943254205.db2.gz QECJKUKUMNRUKL-APXPCNQMSA-N 1 0 365.882 3.836 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)c1O ZINC000894307524 943419816 /nfs/dbraw/zinc/41/98/16/943419816.db2.gz JLMSRGIXDMWEJY-SFHVURJKSA-N 1 0 351.450 3.516 20 10 FHCDRO C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC000424057186 943693792 /nfs/dbraw/zinc/69/37/92/943693792.db2.gz XSLSQFAVQQSBIE-IBGZPJMESA-N 1 0 366.505 3.932 20 10 FHCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000364151885 943706429 /nfs/dbraw/zinc/70/64/29/943706429.db2.gz WDENBEMZKFBIEN-WQTXXOFMSA-N 1 0 358.526 3.504 20 10 FHCDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O ZINC000756532820 943762879 /nfs/dbraw/zinc/76/28/79/943762879.db2.gz GLGILHODHZEAES-NSHDSACASA-N 1 0 365.227 3.956 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@H](C)C2)C1 ZINC000436016623 943955816 /nfs/dbraw/zinc/95/58/16/943955816.db2.gz SFPGOONDCBUWKR-IRXDYDNUSA-N 1 0 353.510 3.713 20 10 FHCDRO Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000291148906 944166457 /nfs/dbraw/zinc/16/64/57/944166457.db2.gz IFFJYTBTFYSLKJ-OAQYLSRUSA-N 1 0 370.468 3.660 20 10 FHCDRO COc1ccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c(O)c1OC ZINC000894549964 944241118 /nfs/dbraw/zinc/24/11/18/944241118.db2.gz VAKBMMZHZKSHEW-NRFANRHFSA-N 1 0 369.461 3.593 20 10 FHCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3c(O)cccc3Cl)CC2)s1 ZINC000123314084 944341887 /nfs/dbraw/zinc/34/18/87/944341887.db2.gz MCDKJPKEFMNVBX-UHFFFAOYSA-N 1 0 364.898 3.810 20 10 FHCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@H]3CCCc4c3cnn4C)c2c1 ZINC000162673159 944477439 /nfs/dbraw/zinc/47/74/39/944477439.db2.gz DTZXMMVDDKHWIO-IBGZPJMESA-N 1 0 351.450 3.797 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000292805462 944577651 /nfs/dbraw/zinc/57/76/51/944577651.db2.gz OAUJIDIAIPXLOR-UHFFFAOYSA-N 1 0 353.514 3.521 20 10 FHCDRO C[NH2+]CCC1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000261990980 944587641 /nfs/dbraw/zinc/58/76/41/944587641.db2.gz DYEJOTURRDORRW-UHFFFAOYSA-N 1 0 357.473 3.695 20 10 FHCDRO CCOc1cccc(C[NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)c1O ZINC000311305781 944620079 /nfs/dbraw/zinc/62/00/79/944620079.db2.gz PXEXPLCWVUPDQI-MRXNPFEDSA-N 1 0 364.486 3.670 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1O ZINC000894795677 944624184 /nfs/dbraw/zinc/62/41/84/944624184.db2.gz SIHOXUQGMJBJQA-NRFANRHFSA-N 1 0 353.462 3.893 20 10 FHCDRO CCc1cccc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C)c1O ZINC000709463837 944639406 /nfs/dbraw/zinc/63/94/06/944639406.db2.gz QUBZRWPMXYDLPL-HXUWFJFHSA-N 1 0 350.503 3.984 20 10 FHCDRO COc1cc(N2CC[NH+](Cc3ccc(CF)cc3)CC2)cc(OC)c1OC ZINC000759885838 944730613 /nfs/dbraw/zinc/73/06/13/944730613.db2.gz IBSDGJQMXNHUDW-UHFFFAOYSA-N 1 0 374.456 3.504 20 10 FHCDRO C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000759895346 944778189 /nfs/dbraw/zinc/77/81/89/944778189.db2.gz RLIUFGXKNXKRCF-HXUWFJFHSA-N 1 0 352.438 3.887 20 10 FHCDRO Cc1cncc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000519593075 945017598 /nfs/dbraw/zinc/01/75/98/945017598.db2.gz HTBNBRUFTMPZFX-UHFFFAOYSA-N 1 0 362.477 3.750 20 10 FHCDRO CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC001271241564 945557341 /nfs/dbraw/zinc/55/73/41/945557341.db2.gz GBCDMSSHYKBJLX-ZACQAIPSSA-N 1 0 360.498 3.603 20 10 FHCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000281449908 945636990 /nfs/dbraw/zinc/63/69/90/945636990.db2.gz STAPJPXQCVEFDO-HZPDHXFCSA-N 1 0 374.504 3.815 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c(O)c1OC ZINC000894489509 945795875 /nfs/dbraw/zinc/79/58/75/945795875.db2.gz BIYVFRSHVPIVKH-KRWDZBQOSA-N 1 0 373.449 3.582 20 10 FHCDRO C[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000121301191 945831276 /nfs/dbraw/zinc/83/12/76/945831276.db2.gz OLYOOYBBZXDRKF-UHFFFAOYSA-N 1 0 368.506 3.607 20 10 FHCDRO Cc1nc(Cl)cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000301940779 946047217 /nfs/dbraw/zinc/04/72/17/946047217.db2.gz WDODVKHMXNCCOV-UHFFFAOYSA-N 1 0 371.916 3.583 20 10 FHCDRO COc1cc(O)c(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)cc1OC ZINC000896946328 946349509 /nfs/dbraw/zinc/34/95/09/946349509.db2.gz QZIRQJPZBVCUCV-UHFFFAOYSA-N 1 0 374.506 3.734 20 10 FHCDRO CN(C)c1ccc(C[N@H+](C)Cn2ncc3c2cccc3Br)cc1 ZINC000303441267 946583541 /nfs/dbraw/zinc/58/35/41/946583541.db2.gz HUDCFXKYRSTRKG-UHFFFAOYSA-N 1 0 373.298 3.954 20 10 FHCDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000840807883 946660616 /nfs/dbraw/zinc/66/06/16/946660616.db2.gz DRCFDAPBJSROAL-DNVCBOLYSA-N 1 0 355.478 3.706 20 10 FHCDRO COc1cc(Cl)cc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)c1O ZINC000897320476 946822163 /nfs/dbraw/zinc/82/21/63/946822163.db2.gz YXCZGQVFLWAPHK-UHFFFAOYSA-N 1 0 371.824 3.704 20 10 FHCDRO C[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162918661 947860171 /nfs/dbraw/zinc/86/01/71/947860171.db2.gz UKJULGJQXKKBAT-QGZVFWFLSA-N 1 0 372.488 3.600 20 10 FHCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC001167806163 947984296 /nfs/dbraw/zinc/98/42/96/947984296.db2.gz BSDCHPBZQWOHEF-QGZVFWFLSA-N 1 0 359.901 3.962 20 10 FHCDRO Fc1cc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)ccc1N1CCOCC1 ZINC000800223121 947997412 /nfs/dbraw/zinc/99/74/12/947997412.db2.gz RVTPUPANWKJJGY-ICSRJNTNSA-N 1 0 369.484 3.873 20 10 FHCDRO CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000925775567 948046272 /nfs/dbraw/zinc/04/62/72/948046272.db2.gz HLBDBJDCEFBSNZ-RNCFNFMXSA-N 1 0 353.240 3.985 20 10 FHCDRO CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000925775863 948046602 /nfs/dbraw/zinc/04/66/02/948046602.db2.gz HVDXVMUICFPXRM-SKDRFNHKSA-N 1 0 353.240 3.985 20 10 FHCDRO COc1cccc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)c1O ZINC000106251491 948114039 /nfs/dbraw/zinc/11/40/39/948114039.db2.gz BRGLOUYPBIWSRL-UHFFFAOYSA-N 1 0 361.869 3.892 20 10 FHCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCC1 ZINC000759968538 948318853 /nfs/dbraw/zinc/31/88/53/948318853.db2.gz GMGHKQRNEABJQA-ZACQAIPSSA-N 1 0 364.505 3.877 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3coc4ccccc34)SC2=S)CC1 ZINC000178983843 948425702 /nfs/dbraw/zinc/42/57/02/948425702.db2.gz CAPMHNOFJWKTDU-MHWRWJLKSA-N 1 0 358.488 3.728 20 10 FHCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000279215747 948626826 /nfs/dbraw/zinc/62/68/26/948626826.db2.gz YOMPYOFNXDBHKT-MRXNPFEDSA-N 1 0 352.482 3.881 20 10 FHCDRO COc1cccc(C[N@@H+](Cc2cc(OC)ccc2O)C[C@H]2CCCO2)c1 ZINC000013993767 211068654 /nfs/dbraw/zinc/06/86/54/211068654.db2.gz FJXBFKKKYPEVCZ-HXUWFJFHSA-N 1 0 357.450 3.591 20 10 FHCDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000359971055 132375939 /nfs/dbraw/zinc/37/59/39/132375939.db2.gz AYDVJGWVRWJYFN-FGZHOGPDSA-N 1 0 355.526 3.652 20 10 FHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738398205 598275350 /nfs/dbraw/zinc/27/53/50/598275350.db2.gz VXNWJXBORQYGDK-UHFFFAOYSA-N 1 0 357.417 3.529 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC000738400461 598621102 /nfs/dbraw/zinc/62/11/02/598621102.db2.gz IMXJLPCRJCJXJA-UHFFFAOYSA-N 1 0 367.428 3.656 20 10 FHCDRO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000161509804 937082268 /nfs/dbraw/zinc/08/22/68/937082268.db2.gz SSLMMGBVTBNRJN-GOSISDBHSA-N 1 0 352.478 3.755 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCCO1 ZINC000160189528 927163114 /nfs/dbraw/zinc/16/31/14/927163114.db2.gz TXNUKLLDZMKEPX-OAHLLOKOSA-N 1 0 351.368 3.991 20 10 FHCDRO Cc1cccn2c(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)cnc12 ZINC000160191631 927214850 /nfs/dbraw/zinc/21/48/50/927214850.db2.gz HFSKDKDGAWMEMX-IBGZPJMESA-N 1 0 351.450 3.530 20 10 FHCDRO COCCOc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000160200821 927224567 /nfs/dbraw/zinc/22/45/67/927224567.db2.gz GRWTUFVDSUWQJC-OAQYLSRUSA-N 1 0 371.477 3.599 20 10 FHCDRO CC(C)SCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000579867736 928911686 /nfs/dbraw/zinc/91/16/86/928911686.db2.gz AVXDJMHXIVQUOK-UHFFFAOYSA-N 1 0 373.566 3.666 20 10 FHCDRO CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1cc(Br)ccc1O ZINC000274910512 929010305 /nfs/dbraw/zinc/01/03/05/929010305.db2.gz MZPBWLUQHITOAX-ZBCRRDGASA-N 1 0 369.303 3.643 20 10 FHCDRO CC[C@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccccc1O ZINC000154968870 929589812 /nfs/dbraw/zinc/58/98/12/929589812.db2.gz KWKMGZMUNKIPSM-JKSUJKDBSA-N 1 0 356.495 3.970 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000471501613 930047926 /nfs/dbraw/zinc/04/79/26/930047926.db2.gz ZMAZSNFZJMFZDI-MRXNPFEDSA-N 1 0 356.514 3.550 20 10 FHCDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000048712920 930487849 /nfs/dbraw/zinc/48/78/49/930487849.db2.gz XJMKZIYNGGRXQE-QGZVFWFLSA-N 1 0 370.493 3.700 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000048750757 930491506 /nfs/dbraw/zinc/49/15/06/930491506.db2.gz DOTFRQXEZAECCT-IBGZPJMESA-N 1 0 370.493 3.712 20 10 FHCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cscc2C(F)F)[NH+](C)C)cc1 ZINC000891243360 930501280 /nfs/dbraw/zinc/50/12/80/930501280.db2.gz NEJQEBJSBHMNIG-MRXNPFEDSA-N 1 0 367.465 3.784 20 10 FHCDRO COc1cccc2nc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC001167426205 930949061 /nfs/dbraw/zinc/94/90/61/930949061.db2.gz BLKYXNFHGIVFJH-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO CC(=O)Nc1cc(C)c(C)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434302 931140788 /nfs/dbraw/zinc/14/07/88/931140788.db2.gz HYZSSRRWMDTCQO-UHFFFAOYSA-N 1 0 366.509 3.626 20 10 FHCDRO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(C)ccc1O ZINC000160746768 931526941 /nfs/dbraw/zinc/52/69/41/931526941.db2.gz QGUANMXAGOZQCN-UHFFFAOYSA-N 1 0 366.383 3.969 20 10 FHCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCS2 ZINC000276198282 932036068 /nfs/dbraw/zinc/03/60/68/932036068.db2.gz YDLWVKHVQYHDOO-HXUWFJFHSA-N 1 0 370.518 3.859 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000471662006 932123093 /nfs/dbraw/zinc/12/30/93/932123093.db2.gz ISKWYPHVGDIUSF-UHFFFAOYSA-N 1 0 356.514 3.549 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000471662844 932127698 /nfs/dbraw/zinc/12/76/98/932127698.db2.gz FMRAKXWLCFIPQY-UHFFFAOYSA-N 1 0 364.493 3.548 20 10 FHCDRO Cc1cc(Cl)ccc1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000588476216 934511858 /nfs/dbraw/zinc/51/18/58/934511858.db2.gz ICOGNDLLRDHUBF-XNTDXEJSSA-N 1 0 366.939 3.944 20 10 FHCDRO COc1ccc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000892101965 934999383 /nfs/dbraw/zinc/99/93/83/934999383.db2.gz PMJUCFZKNFKQOG-ACJLOTCBSA-N 1 0 361.413 3.511 20 10 FHCDRO CCOc1ccc(O)c(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277389263 935065960 /nfs/dbraw/zinc/06/59/60/935065960.db2.gz DFBWSSWPMLGQPO-GOSISDBHSA-N 1 0 353.422 3.556 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000472152404 935209494 /nfs/dbraw/zinc/20/94/94/935209494.db2.gz GPNBJXQMTHXJBW-INIZCTEOSA-N 1 0 356.514 3.550 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000894369236 945169300 /nfs/dbraw/zinc/16/93/00/945169300.db2.gz RMSQKCRQHKSBDP-OAHLLOKOSA-N 1 0 355.356 3.551 20 10 FHCDRO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176798585 938437305 /nfs/dbraw/zinc/43/73/05/938437305.db2.gz QCUMBUIHUGIFMI-GOSISDBHSA-N 1 0 363.461 3.825 20 10 FHCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278659099 938626787 /nfs/dbraw/zinc/62/67/87/938626787.db2.gz KIDUGDJDJWTSQX-UHFFFAOYSA-N 1 0 372.557 3.547 20 10 FHCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000310049954 939121365 /nfs/dbraw/zinc/12/13/65/939121365.db2.gz LKZJIRYCEFBKRZ-CYBMUJFWSA-N 1 0 354.878 3.925 20 10 FHCDRO COc1cc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(O)cc1C ZINC000179442613 939160971 /nfs/dbraw/zinc/16/09/71/939160971.db2.gz OBSYXXLTEIWQOU-UHFFFAOYSA-N 1 0 364.486 3.541 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Br)c(F)cc1[O-] ZINC000756652958 945284118 /nfs/dbraw/zinc/28/41/18/945284118.db2.gz CYDDTMJALDJAFZ-SUJZYYJXSA-N 1 0 358.251 3.902 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2F)c(O)c1OC ZINC000892501063 940111171 /nfs/dbraw/zinc/11/11/71/940111171.db2.gz DPXUUHDYIMJSGH-UHFFFAOYSA-N 1 0 370.218 3.601 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccoc1 ZINC000178189639 940789317 /nfs/dbraw/zinc/78/93/17/940789317.db2.gz VQFCWCMTSMKTQC-CYBMUJFWSA-N 1 0 354.372 3.986 20 10 FHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1O ZINC000181389723 941148768 /nfs/dbraw/zinc/14/87/68/941148768.db2.gz DABJOPAWUXVKFI-ZDUSSCGKSA-N 1 0 370.424 3.712 20 10 FHCDRO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000311297749 941225250 /nfs/dbraw/zinc/22/52/50/941225250.db2.gz SQDICUZZILDYDY-WAYWQWQTSA-N 1 0 359.514 3.847 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000376891908 941460830 /nfs/dbraw/zinc/46/08/30/941460830.db2.gz FWIIJSNEIGYDRT-ACJLOTCBSA-N 1 0 368.437 3.894 20 10 FHCDRO CC(C)Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000892728570 941485180 /nfs/dbraw/zinc/48/51/80/941485180.db2.gz DUZBNQLMSZMXTD-GOSISDBHSA-N 1 0 353.510 3.968 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000377641804 941865236 /nfs/dbraw/zinc/86/52/36/941865236.db2.gz DRYTZXOTGAWBAD-ACJLOTCBSA-N 1 0 358.438 3.528 20 10 FHCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000280062226 942094903 /nfs/dbraw/zinc/09/49/03/942094903.db2.gz KMELCAKNZFOKLM-AZUAARDMSA-N 1 0 352.478 3.790 20 10 FHCDRO Cc1cccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000122822139 942249763 /nfs/dbraw/zinc/24/97/63/942249763.db2.gz BNARYUVBSIBLQZ-IBGZPJMESA-N 1 0 367.445 3.736 20 10 FHCDRO C[C@@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1O ZINC000179645048 942263641 /nfs/dbraw/zinc/26/36/41/942263641.db2.gz YHXCUAAIGFAOFN-INIZCTEOSA-N 1 0 366.421 3.760 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1F ZINC000182103397 942671568 /nfs/dbraw/zinc/67/15/68/942671568.db2.gz ZIDTUJWOYQYRGJ-DFBJGRDBSA-N 1 0 362.514 3.881 20 10 FHCDRO COc1cc(O)c(C[NH2+]CCCOc2cccc3cccnc32)cc1OC ZINC000182189185 942688101 /nfs/dbraw/zinc/68/81/01/942688101.db2.gz YVJWBAQGAVTULK-UHFFFAOYSA-N 1 0 368.433 3.516 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1ccc(Br)cc1O ZINC000363851336 942845970 /nfs/dbraw/zinc/84/59/70/942845970.db2.gz IFLNUZJIAYKYGY-GFCCVEGCSA-N 1 0 373.254 3.586 20 10 FHCDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)CCC2 ZINC000363860834 942871213 /nfs/dbraw/zinc/87/12/13/942871213.db2.gz HLXHYPTVWBNQSC-OLZOCXBDSA-N 1 0 364.287 3.888 20 10 FHCDRO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862791 942880170 /nfs/dbraw/zinc/88/01/70/942880170.db2.gz ZEYJVWRAUCFFNS-DRZSPHRISA-N 1 0 357.267 3.571 20 10 FHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c1O ZINC000367435353 942885511 /nfs/dbraw/zinc/88/55/11/942885511.db2.gz BOQQYGUDLVJBNI-GFCCVEGCSA-N 1 0 364.287 3.847 20 10 FHCDRO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Br)ccc1O ZINC000363870594 942908190 /nfs/dbraw/zinc/90/81/90/942908190.db2.gz YAHJRJXPLZGUAA-GFCCVEGCSA-N 1 0 373.254 3.586 20 10 FHCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(Br)cc1O ZINC000273388051 942946156 /nfs/dbraw/zinc/94/61/56/942946156.db2.gz KBWXXCYPTQQSOM-YGRLFVJLSA-N 1 0 350.260 3.616 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c(O)c1C ZINC000273424058 942954172 /nfs/dbraw/zinc/95/41/72/942954172.db2.gz SQUMDLXSUUAMEO-QGZVFWFLSA-N 1 0 352.478 3.982 20 10 FHCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273431051 942955187 /nfs/dbraw/zinc/95/51/87/942955187.db2.gz VQDFDORYZNBYKY-LLVKDONJSA-N 1 0 350.344 3.613 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(O)c1C ZINC000273432209 942955331 /nfs/dbraw/zinc/95/53/31/942955331.db2.gz VZCKNCSMQGQBRC-MRXNPFEDSA-N 1 0 372.484 3.960 20 10 FHCDRO COCCn1ncc2c1[C@@H]([NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363908871 943029449 /nfs/dbraw/zinc/02/94/49/943029449.db2.gz MTWMQCYUOQWJME-QRWLVFNGSA-N 1 0 369.509 3.842 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(O)c1 ZINC000185118426 943101106 /nfs/dbraw/zinc/10/11/06/943101106.db2.gz VMUFTWFAWMAFDX-HNNXBMFYSA-N 1 0 358.457 3.652 20 10 FHCDRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185252693 943133834 /nfs/dbraw/zinc/13/38/34/943133834.db2.gz CPVOMLIENCABHY-MRXNPFEDSA-N 1 0 352.478 3.628 20 10 FHCDRO COCCn1ncc2c1[C@H]([NH2+]Cc1c(O)ccc3ccccc31)CCC2 ZINC000363967589 943233848 /nfs/dbraw/zinc/23/38/48/943233848.db2.gz GUGWXTZCNQTDRQ-LJQANCHMSA-N 1 0 351.450 3.556 20 10 FHCDRO CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3cc(F)ccc3O)cc2)CC1 ZINC000186267626 943294158 /nfs/dbraw/zinc/29/41/58/943294158.db2.gz NVFWUYWQKFANRP-MRXNPFEDSA-N 1 0 357.473 3.842 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC=CCC2)C1 ZINC000435533810 943471334 /nfs/dbraw/zinc/47/13/34/943471334.db2.gz XIONHGNENDMVGP-SFHVURJKSA-N 1 0 365.521 3.880 20 10 FHCDRO CCN(CC1CC1)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435870561 943825662 /nfs/dbraw/zinc/82/56/62/943825662.db2.gz GGVBLKMQBSIZDN-UHFFFAOYSA-N 1 0 353.510 3.666 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418095900 944150729 /nfs/dbraw/zinc/15/07/29/944150729.db2.gz HJHBJLZLINRJNI-IEBWSBKVSA-N 1 0 368.525 3.550 20 10 FHCDRO COc1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1 ZINC000053602624 944441333 /nfs/dbraw/zinc/44/13/33/944441333.db2.gz XYVJIFOXMYZOGT-JOCHJYFZSA-N 1 0 352.478 3.773 20 10 FHCDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2O)c(F)c1OC ZINC000894755902 944557968 /nfs/dbraw/zinc/55/79/68/944557968.db2.gz XRROQZXVYHIVKF-UHFFFAOYSA-N 1 0 370.218 3.601 20 10 FHCDRO COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C ZINC001167983896 944687466 /nfs/dbraw/zinc/68/74/66/944687466.db2.gz OHNDQQLENNWWJM-IBGZPJMESA-N 1 0 369.461 3.668 20 10 FHCDRO Cc1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000108858916 945398262 /nfs/dbraw/zinc/39/82/62/945398262.db2.gz QKKRHTLAXQDAMW-IXDOHACOSA-N 1 0 368.525 3.585 20 10 FHCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[N@H+](C)C3CCCC3)c2C)cc1 ZINC000729441366 945543995 /nfs/dbraw/zinc/54/39/95/945543995.db2.gz WXVNXYUSVAEJAX-UHFFFAOYSA-N 1 0 369.509 3.707 20 10 FHCDRO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1cccc(Cl)c1 ZINC000894526923 945911745 /nfs/dbraw/zinc/91/17/45/945911745.db2.gz KCMVJODFUMRJDK-HNNXBMFYSA-N 1 0 351.830 3.540 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNc3sccc3[N+](=O)[O-])cc2F)CC1 ZINC000302016859 946079906 /nfs/dbraw/zinc/07/99/06/946079906.db2.gz MAFVTTNBCQNGSN-UHFFFAOYSA-N 1 0 364.446 3.549 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]3CCC[C@@H]32)C1 ZINC000444279598 946165275 /nfs/dbraw/zinc/16/52/75/946165275.db2.gz GIUGJOKQASRJPS-PXNSSMCTSA-N 1 0 365.521 3.809 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H](C)CC(C)C)cc2F)CC1 ZINC000303332803 946553862 /nfs/dbraw/zinc/55/38/62/946553862.db2.gz UPMWZPONMZCHEJ-QGZVFWFLSA-N 1 0 363.521 3.656 20 10 FHCDRO CCCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236756033 946759621 /nfs/dbraw/zinc/75/96/21/946759621.db2.gz DRHZXNSVGRSZKW-QFIPXVFZSA-N 1 0 365.521 3.715 20 10 FHCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000067506181 947004470 /nfs/dbraw/zinc/00/44/70/947004470.db2.gz ZSPRRSURESKHHV-GOSISDBHSA-N 1 0 354.494 3.643 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNc3cccc(F)c3C(C)=O)cc2F)CC1 ZINC000301179190 947219241 /nfs/dbraw/zinc/21/92/41/947219241.db2.gz HDAWEVJJVWELKK-UHFFFAOYSA-N 1 0 373.447 3.921 20 10 FHCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000893565190 947725744 /nfs/dbraw/zinc/72/57/44/947725744.db2.gz ZWMKYGTZRPZMHK-FUHWJXTLSA-N 1 0 361.413 3.558 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1 ZINC000760035674 947737937 /nfs/dbraw/zinc/73/79/37/947737937.db2.gz CDZTXNXWAXXNHJ-UZQPLGKSSA-N 1 0 373.468 3.964 20 10 FHCDRO Fc1cc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)ccc1N1CCOCC1 ZINC000800223122 947997574 /nfs/dbraw/zinc/99/75/74/947997574.db2.gz RVTPUPANWKJJGY-QUCCMNQESA-N 1 0 369.484 3.873 20 10 FHCDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1Cl ZINC000236825754 948309595 /nfs/dbraw/zinc/30/95/95/948309595.db2.gz XJMHUEVGLBJJBL-IBGZPJMESA-N 1 0 359.901 3.664 20 10 FHCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000279215745 948626698 /nfs/dbraw/zinc/62/66/98/948626698.db2.gz YOMPYOFNXDBHKT-INIZCTEOSA-N 1 0 352.482 3.881 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821164300 607012510 /nfs/dbraw/zinc/01/25/10/607012510.db2.gz BBVYUCISODBPQO-CABCVRRESA-N 1 0 350.470 3.735 20 10 FHCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820920012 607014054 /nfs/dbraw/zinc/01/40/54/607014054.db2.gz IXRXVLXKICPZFB-AUUYWEPGSA-N 1 0 350.470 3.735 20 10 FHCDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820920014 607014116 /nfs/dbraw/zinc/01/41/16/607014116.db2.gz IXRXVLXKICPZFB-KUHUBIRLSA-N 1 0 350.470 3.735 20 10 FHCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429244 608549817 /nfs/dbraw/zinc/54/98/17/608549817.db2.gz ZFQPAROGCAZPOM-HNNXBMFYSA-N 1 0 351.454 3.772 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000825415852 609133639 /nfs/dbraw/zinc/13/36/39/609133639.db2.gz DQUTXBIBGBEYNH-AWEZNQCLSA-N 1 0 368.460 3.703 20 10 FHCDRO Cc1cccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1O ZINC000826298401 609264569 /nfs/dbraw/zinc/26/45/69/609264569.db2.gz RACDJENVLDFJBN-UHFFFAOYSA-N 1 0 371.444 3.838 20 10 FHCDRO CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1O ZINC000274789860 928355959 /nfs/dbraw/zinc/35/59/59/928355959.db2.gz RHUKWMKMGHFHBY-LJQANCHMSA-N 1 0 354.498 3.881 20 10 FHCDRO CC[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1O ZINC000274963017 929079967 /nfs/dbraw/zinc/07/99/67/929079967.db2.gz WZZIZSFSCQNZQG-CYBMUJFWSA-N 1 0 350.344 3.695 20 10 FHCDRO FC(F)(F)Oc1ccc(N2CCC([NH2+]CC3CCOCC3)CC2)cc1 ZINC000155648567 937335877 /nfs/dbraw/zinc/33/58/77/937335877.db2.gz KBHVCDSKDHRUCK-UHFFFAOYSA-N 1 0 358.404 3.570 20 10 FHCDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000134042435 929725061 /nfs/dbraw/zinc/72/50/61/929725061.db2.gz VXJXIMPDSYQMRI-OAHLLOKOSA-N 1 0 352.906 3.522 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000471478230 929898932 /nfs/dbraw/zinc/89/89/32/929898932.db2.gz YMHNKEROWGCTFT-NRFANRHFSA-N 1 0 364.493 3.589 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000471552266 930464578 /nfs/dbraw/zinc/46/45/78/930464578.db2.gz RDAQGWNMIIWKFM-LJQANCHMSA-N 1 0 364.493 3.589 20 10 FHCDRO Oc1cccc(Br)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001279220277 930584500 /nfs/dbraw/zinc/58/45/00/930584500.db2.gz UZCAHNKXFQVVQA-IRXDYDNUSA-N 1 0 365.315 3.746 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3nccc(-c4ccccc4)n3)cc2)CC1 ZINC001167422918 930918544 /nfs/dbraw/zinc/91/85/44/930918544.db2.gz GXSKRZIDQAKIQP-UHFFFAOYSA-N 1 0 359.477 3.508 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3nccc4cc(F)ccc43)cc2)CC1 ZINC001167427048 930951019 /nfs/dbraw/zinc/95/10/19/930951019.db2.gz VLZFPCKAAKAPNQ-UHFFFAOYSA-N 1 0 350.441 3.738 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1 ZINC000160581983 930979571 /nfs/dbraw/zinc/97/95/71/930979571.db2.gz NGCPGPBQWRXFTB-LJQANCHMSA-N 1 0 367.537 3.826 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC001167431059 931030962 /nfs/dbraw/zinc/03/09/62/931030962.db2.gz DYVDSHRHUFPZPO-UHFFFAOYSA-N 1 0 360.845 3.612 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)nc(C(C)(C)C)n3)cc2)CC1 ZINC001167431330 931045799 /nfs/dbraw/zinc/04/57/99/931045799.db2.gz TXCCBUGXGDCYOY-UHFFFAOYSA-N 1 0 373.932 3.791 20 10 FHCDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000261869572 931728059 /nfs/dbraw/zinc/72/80/59/931728059.db2.gz SFWCSDFKQUZQTB-UHFFFAOYSA-N 1 0 371.912 3.963 20 10 FHCDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000067247394 931764587 /nfs/dbraw/zinc/76/45/87/931764587.db2.gz PTRCWLVXZLYCKJ-IERDGZPVSA-N 1 0 354.494 3.902 20 10 FHCDRO CCOC(CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O)OCC ZINC000276142883 931858956 /nfs/dbraw/zinc/85/89/56/931858956.db2.gz FDZHCUOPRHXAIS-UHFFFAOYSA-N 1 0 359.466 3.850 20 10 FHCDRO COC(C)(C)c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000581396060 931949731 /nfs/dbraw/zinc/94/97/31/931949731.db2.gz KELRAWUVFQETRW-UHFFFAOYSA-N 1 0 368.481 3.721 20 10 FHCDRO CCOCc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC ZINC000051187872 932562692 /nfs/dbraw/zinc/56/26/92/932562692.db2.gz JXEQFAKTSMKHMU-HNNXBMFYSA-N 1 0 368.477 3.967 20 10 FHCDRO [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000101591909 932982167 /nfs/dbraw/zinc/98/21/67/932982167.db2.gz QPIJXOZFWPITKJ-AWEZNQCLSA-N 1 0 361.283 3.771 20 10 FHCDRO COc1ccc(C[NH+]2CCC(N(C)c3ccccc3)CC2)c(O)c1OC ZINC000891836808 933533368 /nfs/dbraw/zinc/53/33/68/933533368.db2.gz AXHKNWNPGDQPIZ-UHFFFAOYSA-N 1 0 356.466 3.510 20 10 FHCDRO COc1ccc(N2CCC[N@H+](Cc3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000092380688 934011772 /nfs/dbraw/zinc/01/17/72/934011772.db2.gz SDOZZWZAHPNIBN-UHFFFAOYSA-N 1 0 368.506 3.859 20 10 FHCDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000277225122 934817384 /nfs/dbraw/zinc/81/73/84/934817384.db2.gz YFRIWBMZPGDMTI-SFHVURJKSA-N 1 0 365.525 3.787 20 10 FHCDRO CN(C)C(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCCC2)[nH]1 ZINC000156777361 934944417 /nfs/dbraw/zinc/94/44/17/934944417.db2.gz GYANIYNYVQUKOH-UHFFFAOYSA-N 1 0 355.482 3.757 20 10 FHCDRO COc1ccc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)c(O)c1OC ZINC000892101575 934998722 /nfs/dbraw/zinc/99/87/22/934998722.db2.gz OGFCYDKVPTVKNS-UHFFFAOYSA-N 1 0 356.466 3.794 20 10 FHCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(c2ccccc2F)C1=O ZINC001167522171 935115697 /nfs/dbraw/zinc/11/56/97/935115697.db2.gz UHQNMAQQBCOMGQ-IBGZPJMESA-N 1 0 356.441 3.939 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000472232394 935845091 /nfs/dbraw/zinc/84/50/91/935845091.db2.gz JMBNVDOBMAONFV-SFHVURJKSA-N 1 0 368.525 3.647 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)cc1 ZINC000158637154 935878662 /nfs/dbraw/zinc/87/86/62/935878662.db2.gz PBVFCDQCXYYCSQ-QGZVFWFLSA-N 1 0 360.523 3.657 20 10 FHCDRO CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000158664900 935894472 /nfs/dbraw/zinc/89/44/72/935894472.db2.gz IPTRWCFIQSLOFU-HXUWFJFHSA-N 1 0 360.523 3.657 20 10 FHCDRO c1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc(N2CCCC2)n1 ZINC000075761145 936019237 /nfs/dbraw/zinc/01/92/37/936019237.db2.gz DMEVUMUPMWIETM-UHFFFAOYSA-N 1 0 350.510 3.962 20 10 FHCDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000161382499 936041983 /nfs/dbraw/zinc/04/19/83/936041983.db2.gz AMRIJNVTDYGLMO-UHFFFAOYSA-N 1 0 357.542 3.992 20 10 FHCDRO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000198356614 938968900 /nfs/dbraw/zinc/96/89/00/938968900.db2.gz SQLVYNMVZHGUIR-UHFFFAOYSA-N 1 0 357.473 3.836 20 10 FHCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000124326983 945233237 /nfs/dbraw/zinc/23/32/37/945233237.db2.gz GRWKDUAMWHOGJI-UHFFFAOYSA-N 1 0 370.840 3.870 20 10 FHCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000179704840 939924833 /nfs/dbraw/zinc/92/48/33/939924833.db2.gz LCPNTNVUXCSLEJ-OAHLLOKOSA-N 1 0 365.271 3.839 20 10 FHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000179760359 939932177 /nfs/dbraw/zinc/93/21/77/939932177.db2.gz NBOXPSAIMPNYPE-UHFFFAOYSA-N 1 0 365.521 3.755 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)cc1 ZINC000162240998 939934423 /nfs/dbraw/zinc/93/44/23/939934423.db2.gz PKCYSAHYSFWQTK-QGZVFWFLSA-N 1 0 367.541 3.869 20 10 FHCDRO CC(C)[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)N1CCOCC1 ZINC000725844289 940100458 /nfs/dbraw/zinc/10/04/58/940100458.db2.gz RVFRFGDNUYUNAQ-NRFANRHFSA-N 1 0 354.494 3.506 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(O)c1OC ZINC000892506177 940171247 /nfs/dbraw/zinc/17/12/47/940171247.db2.gz WKXYFNWQIZVZTI-CYBMUJFWSA-N 1 0 370.449 3.609 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c(O)c1OC ZINC000892506269 940181403 /nfs/dbraw/zinc/18/14/03/940181403.db2.gz ACICZZIGOANUKS-NSHDSACASA-N 1 0 353.365 3.862 20 10 FHCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000725851360 940738589 /nfs/dbraw/zinc/73/85/89/940738589.db2.gz KZJILDYJLJWTKY-CQSZACIVSA-N 1 0 373.884 3.763 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c(O)c1OC ZINC000892583772 940844687 /nfs/dbraw/zinc/84/46/87/940844687.db2.gz ZLAZEOFDIKGZHO-NSHDSACASA-N 1 0 353.365 3.862 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nccn1-c1ccccc1 ZINC000377407318 941701265 /nfs/dbraw/zinc/70/12/65/941701265.db2.gz KUBXJWJTAMRDNE-SFHVURJKSA-N 1 0 362.477 3.560 20 10 FHCDRO Cc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)n1-c1cccc(Cl)c1 ZINC000178860444 941722421 /nfs/dbraw/zinc/72/24/21/941722421.db2.gz ZIHCREROYFVSND-CQSZACIVSA-N 1 0 359.901 3.947 20 10 FHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000377625393 941850310 /nfs/dbraw/zinc/85/03/10/941850310.db2.gz MGQKAASAJNZKPV-SJLPKXTDSA-N 1 0 358.486 3.521 20 10 FHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000377693520 941907520 /nfs/dbraw/zinc/90/75/20/941907520.db2.gz GULAYPATZWQBNJ-IBGZPJMESA-N 1 0 356.514 3.829 20 10 FHCDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@H](C)C2)s1 ZINC000377790478 941990425 /nfs/dbraw/zinc/99/04/25/941990425.db2.gz KJALLWDNRCNFJU-QRWLVFNGSA-N 1 0 358.555 3.518 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(C)cc1O ZINC000280058383 942094429 /nfs/dbraw/zinc/09/44/29/942094429.db2.gz KEBOHLOQXGIRDU-INIZCTEOSA-N 1 0 367.898 3.998 20 10 FHCDRO CC[NH2+]Cc1ccccc1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000415913129 942147263 /nfs/dbraw/zinc/14/72/63/942147263.db2.gz ABRMHGNEGRVKIW-UHFFFAOYSA-N 1 0 350.466 3.918 20 10 FHCDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180062347 942320345 /nfs/dbraw/zinc/32/03/45/942320345.db2.gz SWQGSDDQRDNYRQ-CYBMUJFWSA-N 1 0 352.450 3.657 20 10 FHCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001167735282 942581276 /nfs/dbraw/zinc/58/12/76/942581276.db2.gz XQRXIXLAQHUUDP-OAHLLOKOSA-N 1 0 356.249 3.571 20 10 FHCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756399440 942653100 /nfs/dbraw/zinc/65/31/00/942653100.db2.gz ONUDPBHTSHAOLH-SNVBAGLBSA-N 1 0 356.239 3.609 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000182468747 942744339 /nfs/dbraw/zinc/74/43/39/942744339.db2.gz DCBCPVGUUAKLQF-CQSZACIVSA-N 1 0 353.418 3.975 20 10 FHCDRO O=C(CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000182650873 942770281 /nfs/dbraw/zinc/77/02/81/942770281.db2.gz UZKCZXPBVXWIKW-LJQANCHMSA-N 1 0 357.425 3.785 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000363852492 942843055 /nfs/dbraw/zinc/84/30/55/942843055.db2.gz JMRGJNYGAHHIGF-HNNXBMFYSA-N 1 0 360.498 3.623 20 10 FHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1C ZINC000273125460 942896436 /nfs/dbraw/zinc/89/64/36/942896436.db2.gz YUIFLLTYMHBRJE-INIZCTEOSA-N 1 0 372.484 3.955 20 10 FHCDRO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000273164590 942900185 /nfs/dbraw/zinc/90/01/85/942900185.db2.gz AOUUOIWNNJBEKF-BRWVUGGUSA-N 1 0 350.478 3.518 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(O)c1C ZINC000273409007 942950314 /nfs/dbraw/zinc/95/03/14/942950314.db2.gz PEAABJWSFBAKGM-JXFKEZNVSA-N 1 0 368.477 3.977 20 10 FHCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273619853 942998522 /nfs/dbraw/zinc/99/85/22/942998522.db2.gz YRBBCAIMWZPERG-SGTLLEGYSA-N 1 0 371.868 3.535 20 10 FHCDRO COc1c(O)c(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[N+](=O)[O-] ZINC000278826913 943008958 /nfs/dbraw/zinc/00/89/58/943008958.db2.gz IEQCNHNFXQZMPU-INIZCTEOSA-N 1 0 370.409 3.672 20 10 FHCDRO COc1cc(O)c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1OC ZINC000271714901 943039833 /nfs/dbraw/zinc/03/98/33/943039833.db2.gz BWNMCHSSACQVHG-UHFFFAOYSA-N 1 0 365.433 3.575 20 10 FHCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000271740763 943042691 /nfs/dbraw/zinc/04/26/91/943042691.db2.gz CFRMRWWFKZKGKV-GJZGRUSLSA-N 1 0 373.428 3.982 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c(O)c1 ZINC000184864290 943059811 /nfs/dbraw/zinc/05/98/11/943059811.db2.gz NSCCFTBEICFCBB-UZLBHIALSA-N 1 0 358.457 3.564 20 10 FHCDRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(F)ccc1O ZINC000185137203 943106568 /nfs/dbraw/zinc/10/65/68/943106568.db2.gz DPRDINRTSWABLE-AWEZNQCLSA-N 1 0 373.424 3.659 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000185157051 943112602 /nfs/dbraw/zinc/11/26/02/943112602.db2.gz DYOZNXGVFWBFAM-HUUCEWRRSA-N 1 0 354.450 3.939 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(COC3CCOCC3)c2)c1 ZINC000185429462 943165013 /nfs/dbraw/zinc/16/50/13/943165013.db2.gz FZUDCNOFSSWMAH-INIZCTEOSA-N 1 0 371.477 3.947 20 10 FHCDRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3cc(OC)ccc3O)cc2)n1 ZINC000185987317 943254608 /nfs/dbraw/zinc/25/46/08/943254608.db2.gz GAZOWPJPRFQUHW-AWEZNQCLSA-N 1 0 367.449 3.907 20 10 FHCDRO COc1cccc(C[NH2+][C@@H](c2nc(-c3ccccc3)no2)C(C)C)c1O ZINC000364043534 943396641 /nfs/dbraw/zinc/39/66/41/943396641.db2.gz UWQVLAVPLJMGTM-QGZVFWFLSA-N 1 0 353.422 3.938 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C2CCCC2)C1 ZINC000435571312 943492201 /nfs/dbraw/zinc/49/22/01/943492201.db2.gz UDTMVZDWFJWAEP-UHFFFAOYSA-N 1 0 353.510 3.809 20 10 FHCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000284272742 943524754 /nfs/dbraw/zinc/52/47/54/943524754.db2.gz AFZJKFCYRJFHNL-CYBMUJFWSA-N 1 0 367.898 3.998 20 10 FHCDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c(O)c1OC ZINC000894549965 944241434 /nfs/dbraw/zinc/24/14/34/944241434.db2.gz VAKBMMZHZKSHEW-OAQYLSRUSA-N 1 0 369.461 3.593 20 10 FHCDRO CN(C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1)C(=O)OC(C)(C)C ZINC000729463630 944351532 /nfs/dbraw/zinc/35/15/32/944351532.db2.gz NJXMLLMTXTUQDZ-HNNXBMFYSA-N 1 0 360.498 3.570 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cccc4cccnc34)SC2=S)CC1 ZINC000299262998 944505419 /nfs/dbraw/zinc/50/54/19/944505419.db2.gz HIKNODBSHBXJOE-FOWTUZBSSA-N 1 0 369.515 3.530 20 10 FHCDRO CCc1ccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000759877264 944679325 /nfs/dbraw/zinc/67/93/25/944679325.db2.gz FQSITNWKFZWZBE-UHFFFAOYSA-N 1 0 370.493 3.597 20 10 FHCDRO Cc1cc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(O)cc1Br ZINC001279823326 944957358 /nfs/dbraw/zinc/95/73/58/944957358.db2.gz HBVGPHBVKDNSAP-SFHVURJKSA-N 1 0 367.331 3.771 20 10 FHCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c1O ZINC000894366029 945052926 /nfs/dbraw/zinc/05/29/26/945052926.db2.gz KCABAFBFFCWFKZ-CQSZACIVSA-N 1 0 353.422 3.653 20 10 FHCDRO OCC1CCN(c2ccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281362938 945614167 /nfs/dbraw/zinc/61/41/67/945614167.db2.gz WEWVHLVRVNQMHX-JOCHJYFZSA-N 1 0 369.484 3.670 20 10 FHCDRO COc1ccc(N2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1F ZINC000301546979 945841066 /nfs/dbraw/zinc/84/10/66/945841066.db2.gz FEWBSADHIOTPSB-UHFFFAOYSA-N 1 0 355.388 3.848 20 10 FHCDRO CCOc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ccc1OC ZINC000121305869 946374966 /nfs/dbraw/zinc/37/49/66/946374966.db2.gz DKINWSCGQFWCJE-UHFFFAOYSA-N 1 0 370.493 3.563 20 10 FHCDRO COC(=O)c1c(CN[C@@H]2CCCc3cccnc32)c2cc(F)ccc2n1C ZINC000897071329 946567146 /nfs/dbraw/zinc/56/71/46/946567146.db2.gz ZYUDRMSPGDKNBW-QGZVFWFLSA-N 1 0 367.424 3.666 20 10 FHCDRO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000726962238 946750507 /nfs/dbraw/zinc/75/05/07/946750507.db2.gz SWEDHMBTKHFTPG-CQSZACIVSA-N 1 0 373.474 3.548 20 10 FHCDRO C[N@H+](Cc1cnc(C(C)(C)C)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000121317240 946768841 /nfs/dbraw/zinc/76/88/41/946768841.db2.gz PMYAXPYZUSMUOR-UHFFFAOYSA-N 1 0 359.539 3.909 20 10 FHCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccccc1O ZINC000760032534 946945980 /nfs/dbraw/zinc/94/59/80/946945980.db2.gz GSOGUTGRJCLMIJ-KBPBESRZSA-N 1 0 364.283 3.657 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897330379 947229321 /nfs/dbraw/zinc/22/93/21/947229321.db2.gz TXIFYKGPGSQNBV-OAHLLOKOSA-N 1 0 355.356 3.551 20 10 FHCDRO COc1ccc(N2CCC([N@H+](C)Cc3cnc(Cl)s3)CC2)cc1 ZINC000079326797 947395278 /nfs/dbraw/zinc/39/52/78/947395278.db2.gz WDQRGHJICNVJKS-UHFFFAOYSA-N 1 0 351.903 3.906 20 10 FHCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000893565191 947725370 /nfs/dbraw/zinc/72/53/70/947725370.db2.gz ZWMKYGTZRPZMHK-SJLPKXTDSA-N 1 0 361.413 3.558 20 10 FHCDRO COc1cc(O)c(C[NH2+][C@H](C)c2cc(Cl)cc3c2OCC3)cc1OC ZINC000897338650 947752745 /nfs/dbraw/zinc/75/27/45/947752745.db2.gz VDIYWWQERPYRNB-LLVKDONJSA-N 1 0 363.841 3.849 20 10 FHCDRO COc1cc(Br)cc(C[NH2+][C@H](C)c2cccc(O)c2)c1O ZINC000105461268 948038002 /nfs/dbraw/zinc/03/80/02/948038002.db2.gz QQFWGMMFGBCZQX-SNVBAGLBSA-N 1 0 352.228 3.720 20 10 FHCDRO Oc1cccc(Cl)c1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000749113942 948127754 /nfs/dbraw/zinc/12/77/54/948127754.db2.gz DEVXWHBRHVUQTM-UHFFFAOYSA-N 1 0 350.812 3.800 20 10 FHCDRO CC[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)ccc1O ZINC000278960862 948340192 /nfs/dbraw/zinc/34/01/92/948340192.db2.gz MIRIKHMVJUEICC-WFASDCNBSA-N 1 0 364.287 3.655 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc([C@@H]3C[C@@H]3C)no2)C1 ZINC000520655983 948511477 /nfs/dbraw/zinc/51/14/77/948511477.db2.gz CWDVEVQIUUSHCQ-GOEBONIOSA-N 1 0 350.466 3.963 20 10 FHCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000066990788 948576883 /nfs/dbraw/zinc/57/68/83/948576883.db2.gz FNOBEAFVLIYLCF-KRWDZBQOSA-N 1 0 372.484 3.782 20 10 FHCDRO CC(C)[N@H+](C)CC1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000736455536 600422431 /nfs/dbraw/zinc/42/24/31/600422431.db2.gz UJIJMGQOMJYDAX-UHFFFAOYSA-N 1 0 370.493 3.796 20 10 FHCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435299 608550902 /nfs/dbraw/zinc/55/09/02/608550902.db2.gz SRMBTDLOTUYBLL-AWEZNQCLSA-N 1 0 368.460 3.655 20 10 FHCDRO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(Br)ccc1O ZINC000756636318 945067112 /nfs/dbraw/zinc/06/71/12/945067112.db2.gz IOTPKQOEGBMMTL-VIFPVBQESA-N 1 0 356.289 3.528 20 10 FHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1NC(C)=O ZINC000122946366 937106472 /nfs/dbraw/zinc/10/64/72/937106472.db2.gz JACNVTCGFHOBKG-HNNXBMFYSA-N 1 0 367.493 3.887 20 10 FHCDRO O=C(CC1CCCC1)NC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160166739 927071398 /nfs/dbraw/zinc/07/13/98/927071398.db2.gz BZDIEKBPJHDHQG-UHFFFAOYSA-N 1 0 370.537 3.932 20 10 FHCDRO COc1cc(O)c(C[NH+]2CCC(COc3ccccc3)CC2)cc1OC ZINC000160236026 927619860 /nfs/dbraw/zinc/61/98/60/927619860.db2.gz NZRXOGLQEYMYCQ-UHFFFAOYSA-N 1 0 357.450 3.700 20 10 FHCDRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000154700690 929212550 /nfs/dbraw/zinc/21/25/50/929212550.db2.gz SNAREYVNVWJBCR-BWKNWUBXSA-N 1 0 356.535 3.886 20 10 FHCDRO COc1ccc(N2CCC([NH2+]CCCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000156177896 937403879 /nfs/dbraw/zinc/40/38/79/937403879.db2.gz NRCHDVYZIHNLTE-UHFFFAOYSA-N 1 0 364.493 3.763 20 10 FHCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCCCC3)cc1)CC2 ZINC000160454370 930491619 /nfs/dbraw/zinc/49/16/19/930491619.db2.gz FYGUSLXRQHIGIR-LPHOPBHVSA-N 1 0 353.514 3.633 20 10 FHCDRO CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000160467180 930543474 /nfs/dbraw/zinc/54/34/74/930543474.db2.gz JQNLSWABPRRHMG-HSZRJFAPSA-N 1 0 367.537 3.826 20 10 FHCDRO CN(C)c1ccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cc1 ZINC000160539604 930814486 /nfs/dbraw/zinc/81/44/86/930814486.db2.gz ASACZUALARGCAH-UHFFFAOYSA-N 1 0 355.501 3.688 20 10 FHCDRO Cc1cc(C(F)(F)F)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167422762 930917666 /nfs/dbraw/zinc/91/76/66/930917666.db2.gz APTJRRXMZWYJCZ-UHFFFAOYSA-N 1 0 364.415 3.773 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ncnc4c5ccccc5oc43)cc2)CC1 ZINC001167423142 930920972 /nfs/dbraw/zinc/92/09/72/930920972.db2.gz OPQNXDJPDRGLPC-UHFFFAOYSA-N 1 0 373.460 3.740 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)nc4c3CCCC4)cc2)CC1 ZINC001167423338 930922368 /nfs/dbraw/zinc/92/23/68/930922368.db2.gz WBCGXFYHQRYHME-UHFFFAOYSA-N 1 0 370.928 3.978 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-c4csnn4)cc3)cc2)CC1 ZINC001167434116 931137522 /nfs/dbraw/zinc/13/75/22/931137522.db2.gz CKISVCSDFSYYEI-UHFFFAOYSA-N 1 0 365.506 3.569 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)ncc3Cl)cc2)CC1 ZINC001167437609 931298087 /nfs/dbraw/zinc/29/80/87/931298087.db2.gz VCAHUUZFOOZSMP-UHFFFAOYSA-N 1 0 351.281 3.752 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)C(C)(C)CO4)cc2)CC1 ZINC001167437646 931300308 /nfs/dbraw/zinc/30/03/08/931300308.db2.gz WZMWKABBCIOTCR-UHFFFAOYSA-N 1 0 351.494 3.721 20 10 FHCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000706872068 931800218 /nfs/dbraw/zinc/80/02/18/931800218.db2.gz XLXGAQUSYBGMMS-HNNXBMFYSA-N 1 0 361.283 3.519 20 10 FHCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000050901714 931809370 /nfs/dbraw/zinc/80/93/70/931809370.db2.gz LDNDJCKQNGVNOL-QGZVFWFLSA-N 1 0 370.493 3.682 20 10 FHCDRO Fc1cc(C[NH2+]Cc2cccc3cccnc32)ccc1N1CCOCC1 ZINC000069751528 931962021 /nfs/dbraw/zinc/96/20/21/931962021.db2.gz ZCAFWVFCUGBMMZ-UHFFFAOYSA-N 1 0 351.425 3.500 20 10 FHCDRO CC[C@H]([NH2+]CC1(CF)CCOCC1)c1cc(Br)ccc1O ZINC000834884731 932185354 /nfs/dbraw/zinc/18/53/54/932185354.db2.gz CHQMERBEEKSFIL-AWEZNQCLSA-N 1 0 360.267 3.962 20 10 FHCDRO CC[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1O ZINC000156755168 934938646 /nfs/dbraw/zinc/93/86/46/934938646.db2.gz UDQZVYPUHWAMGZ-JKSUJKDBSA-N 1 0 350.256 3.929 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccc(N(C)C)cc1 ZINC000152831170 935869582 /nfs/dbraw/zinc/86/95/82/935869582.db2.gz JJHKXLAKWOTYBM-GOSISDBHSA-N 1 0 352.526 3.505 20 10 FHCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1cnccn1 ZINC000152952947 935917281 /nfs/dbraw/zinc/91/72/81/935917281.db2.gz AOTNAJQTPCXJFJ-ZDUSSCGKSA-N 1 0 366.387 3.695 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1CCOC1 ZINC000152950803 935918716 /nfs/dbraw/zinc/91/87/16/935918716.db2.gz KSJMEODKHCSBRU-ZIAGYGMSSA-N 1 0 358.404 3.569 20 10 FHCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@H]1CCOC1 ZINC000152950884 935918749 /nfs/dbraw/zinc/91/87/49/935918749.db2.gz KSJMEODKHCSBRU-KBPBESRZSA-N 1 0 358.404 3.569 20 10 FHCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000729475127 945270146 /nfs/dbraw/zinc/27/01/46/945270146.db2.gz QLCMRROLILBHFI-JOCHJYFZSA-N 1 0 369.484 3.639 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000066145220 940302283 /nfs/dbraw/zinc/30/22/83/940302283.db2.gz ZEIYCSQLQJWMOI-ZROIWOOFSA-N 1 0 352.500 3.615 20 10 FHCDRO CC[C@H]([NH2+]C1CCN(c2cc(C)nc(C)n2)CC1)c1ccc(N(C)C)cc1 ZINC000162270563 940305727 /nfs/dbraw/zinc/30/57/27/940305727.db2.gz LXBWEHMGFLWILQ-NRFANRHFSA-N 1 0 367.541 3.869 20 10 FHCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000177968653 940494059 /nfs/dbraw/zinc/49/40/59/940494059.db2.gz AEDKUUQJRHQHDN-CQSZACIVSA-N 1 0 366.914 3.531 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N2CCOCC2)cc1Cl ZINC000124876918 945330853 /nfs/dbraw/zinc/33/08/53/945330853.db2.gz GWYZTFHDNCLXPI-XFHUWUJUSA-N 1 0 364.917 3.785 20 10 FHCDRO COc1ccc(-c2nc(CC[NH2+][C@@H](C)c3cc(OC)ccc3O)co2)cc1 ZINC000376300902 940727152 /nfs/dbraw/zinc/72/71/52/940727152.db2.gz FWGYGLBPEZUIGK-AWEZNQCLSA-N 1 0 368.433 3.958 20 10 FHCDRO COc1ccc(-c2nc(CC[NH2+][C@H](C)c3cc(OC)ccc3O)co2)cc1 ZINC000376300903 940727259 /nfs/dbraw/zinc/72/72/59/940727259.db2.gz FWGYGLBPEZUIGK-CQSZACIVSA-N 1 0 368.433 3.958 20 10 FHCDRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395802 941152346 /nfs/dbraw/zinc/15/23/46/941152346.db2.gz GMRAFMHJNWUSLR-SCLBCKFNSA-N 1 0 363.299 3.899 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2nc(-c3ccccc3)no2)c1 ZINC000376893693 941460854 /nfs/dbraw/zinc/46/08/54/941460854.db2.gz QBQMZPGHHCEWPE-ZIAGYGMSSA-N 1 0 353.422 3.733 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000376891910 941460982 /nfs/dbraw/zinc/46/09/82/941460982.db2.gz FWIIJSNEIGYDRT-SCLBCKFNSA-N 1 0 368.437 3.894 20 10 FHCDRO COc1ccc(N2CCC([NH2+]Cc3cc(COC(C)(C)C)on3)CC2)cc1 ZINC000376938128 941469652 /nfs/dbraw/zinc/46/96/52/941469652.db2.gz VXUXWMKCOWKUDV-UHFFFAOYSA-N 1 0 373.497 3.757 20 10 FHCDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000549242713 941720588 /nfs/dbraw/zinc/72/05/88/941720588.db2.gz FSJFSJPIYKMVEK-UHFFFAOYSA-N 1 0 359.477 3.974 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-n2cncn2)cc1Cl ZINC000122458183 941751633 /nfs/dbraw/zinc/75/16/33/941751633.db2.gz PVBDOCJYZSYOKO-CYBMUJFWSA-N 1 0 373.863 3.977 20 10 FHCDRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000377782162 941985253 /nfs/dbraw/zinc/98/52/53/941985253.db2.gz PQWDRLDVJRRUKK-QSFXBCCZSA-N 1 0 374.504 3.621 20 10 FHCDRO COc1ccccc1-n1nccc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000430021902 941989344 /nfs/dbraw/zinc/98/93/44/941989344.db2.gz KQJLRUKRMIIQAJ-UHFFFAOYSA-N 1 0 360.461 3.971 20 10 FHCDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000261827116 942111555 /nfs/dbraw/zinc/11/15/55/942111555.db2.gz OLMWVRZQJZLADW-UHFFFAOYSA-N 1 0 371.912 3.963 20 10 FHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1O ZINC000280326814 942160913 /nfs/dbraw/zinc/16/09/13/942160913.db2.gz HKAGQPOBXNLOHD-SECBINFHSA-N 1 0 367.218 3.742 20 10 FHCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001167735203 942573632 /nfs/dbraw/zinc/57/36/32/942573632.db2.gz VCAUVRASFLPUTI-UHFFFAOYSA-N 1 0 351.200 3.695 20 10 FHCDRO O=C1CCCN1CC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000378338453 942609288 /nfs/dbraw/zinc/60/92/88/942609288.db2.gz CLPXQKDBYNZOLH-UHFFFAOYSA-N 1 0 355.526 3.511 20 10 FHCDRO COc1ccc(O)c(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000182388367 942728800 /nfs/dbraw/zinc/72/88/00/942728800.db2.gz XJRCXRMLOXAGJH-SFHVURJKSA-N 1 0 367.367 3.993 20 10 FHCDRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cc(F)ccc3O)CC2)cs1 ZINC000363868875 942900908 /nfs/dbraw/zinc/90/09/08/942900908.db2.gz SKUPWKFVHJWWIJ-CYBMUJFWSA-N 1 0 363.502 3.859 20 10 FHCDRO COc1cc(N2CC[NH+]([C@@H](C)c3ccccc3C)CC2)cc(OC)c1OC ZINC000183702985 942905574 /nfs/dbraw/zinc/90/55/74/942905574.db2.gz PJRMOLXGLDNQJS-KRWDZBQOSA-N 1 0 370.493 3.904 20 10 FHCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(Br)cc1O ZINC000273388048 942946060 /nfs/dbraw/zinc/94/60/60/942946060.db2.gz KBWXXCYPTQQSOM-QMTHXVAHSA-N 1 0 350.260 3.616 20 10 FHCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273431055 942955589 /nfs/dbraw/zinc/95/55/89/942955589.db2.gz VQDFDORYZNBYKY-NSHDSACASA-N 1 0 350.344 3.613 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000273497319 942971646 /nfs/dbraw/zinc/97/16/46/942971646.db2.gz PLGURRBSOVXBHP-BDJLRTHQSA-N 1 0 366.255 3.548 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)c1 ZINC000273508619 942974495 /nfs/dbraw/zinc/97/44/95/942974495.db2.gz RHFSHXMMOPIKFE-CYBMUJFWSA-N 1 0 355.463 3.813 20 10 FHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000378649355 943005246 /nfs/dbraw/zinc/00/52/46/943005246.db2.gz MUBKMCNEGVDPLM-IBGZPJMESA-N 1 0 369.852 3.861 20 10 FHCDRO CCCC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000282550880 943131712 /nfs/dbraw/zinc/13/17/12/943131712.db2.gz XFIHSYGDIFJWTP-UHFFFAOYSA-N 1 0 369.465 3.591 20 10 FHCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2)c1 ZINC000185641665 943200235 /nfs/dbraw/zinc/20/02/35/943200235.db2.gz XTWYMBSLZYTTAO-HOTGVXAUSA-N 1 0 356.466 3.647 20 10 FHCDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000186198277 943284235 /nfs/dbraw/zinc/28/42/35/943284235.db2.gz RMRYCBXLIVWTRF-HZPDHXFCSA-N 1 0 373.456 3.995 20 10 FHCDRO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000187595391 943369180 /nfs/dbraw/zinc/36/91/80/943369180.db2.gz ISXMUGVWHMQRFG-KRWDZBQOSA-N 1 0 358.432 3.791 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2C=CCCC2)C1 ZINC000435814222 943787435 /nfs/dbraw/zinc/78/74/35/943787435.db2.gz RUAIZIYDMHPAGQ-KRWDZBQOSA-N 1 0 351.494 3.633 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(C3CC3)CC2)C1 ZINC000435902248 943836420 /nfs/dbraw/zinc/83/64/20/943836420.db2.gz LDUWSUNMTNYKHT-UHFFFAOYSA-N 1 0 365.521 3.714 20 10 FHCDRO COc1cc(Br)cc(C[NH2+][C@H](C)COc2ccccc2)c1O ZINC000728781906 944055888 /nfs/dbraw/zinc/05/58/88/944055888.db2.gz IIJLGTVJXOSZIN-GFCCVEGCSA-N 1 0 366.255 3.720 20 10 FHCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000729463872 944327911 /nfs/dbraw/zinc/32/79/11/944327911.db2.gz LLUZDEDYPOETJQ-UHFFFAOYSA-N 1 0 350.418 3.506 20 10 FHCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c(O)c1OC ZINC000894809609 944655448 /nfs/dbraw/zinc/65/54/48/944655448.db2.gz WYODFSIHVFLFCZ-OAQYLSRUSA-N 1 0 371.477 3.793 20 10 FHCDRO [O-]c1c(F)cc(F)cc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000894422935 945621490 /nfs/dbraw/zinc/62/14/90/945621490.db2.gz LGABEJFGMNLZNN-UHFFFAOYSA-N 1 0 351.418 3.796 20 10 FHCDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000840719911 945809500 /nfs/dbraw/zinc/80/95/00/945809500.db2.gz WYMFOJDNPOBHRR-RTWAWAEBSA-N 1 0 374.569 3.967 20 10 FHCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cccs3)CC2)cc1 ZINC000162807297 945908981 /nfs/dbraw/zinc/90/89/81/945908981.db2.gz OIBUWDCGMSMYTG-KRWDZBQOSA-N 1 0 359.539 3.620 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)C[C@H]2C)C1 ZINC000444258417 946141202 /nfs/dbraw/zinc/14/12/02/946141202.db2.gz HCOYYNGKNPTUBJ-IAGOWNOFSA-N 1 0 353.510 3.665 20 10 FHCDRO Cc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000302933660 946390054 /nfs/dbraw/zinc/39/00/54/946390054.db2.gz GTPFKKNFSBMAAM-UHFFFAOYSA-N 1 0 355.457 3.590 20 10 FHCDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(O)c1OC ZINC000894912958 946589659 /nfs/dbraw/zinc/58/96/59/946589659.db2.gz LSKCVABEUGDVQT-OAQYLSRUSA-N 1 0 369.461 3.763 20 10 FHCDRO C[C@H]([NH2+]CCOc1ncccc1Cl)c1cc(Br)ccc1O ZINC000756762745 946614860 /nfs/dbraw/zinc/61/48/60/946614860.db2.gz ZKILQAITWSJSKA-JTQLQIEISA-N 1 0 371.662 3.933 20 10 FHCDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000840807887 946660732 /nfs/dbraw/zinc/66/07/32/946660732.db2.gz DRCFDAPBJSROAL-KXBFYZLASA-N 1 0 355.478 3.706 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000840941411 946848728 /nfs/dbraw/zinc/84/87/28/946848728.db2.gz WLZXQLWFMWGZEL-UHFFFAOYSA-N 1 0 365.319 3.590 20 10 FHCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000840842719 946932655 /nfs/dbraw/zinc/93/26/55/946932655.db2.gz YKLHPBNFNSZJNO-CYBMUJFWSA-N 1 0 367.898 3.998 20 10 FHCDRO COc1cc(Br)cc(C[N@H+](C)CCc2cccs2)c1O ZINC000093685357 946954049 /nfs/dbraw/zinc/95/40/49/946954049.db2.gz CHNJJZDPJNVQHI-UHFFFAOYSA-N 1 0 356.285 3.899 20 10 FHCDRO Cc1ccc2ncc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)n2c1 ZINC000160209544 948616235 /nfs/dbraw/zinc/61/62/35/948616235.db2.gz BJWJDHBLOZFKSL-IBGZPJMESA-N 1 0 351.450 3.530 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(O)c1C ZINC000359972123 223140915 /nfs/dbraw/zinc/14/09/15/223140915.db2.gz DUTCMOMXYIMFOD-QGZVFWFLSA-N 1 0 352.478 3.964 20 10 FHCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000038013757 211350181 /nfs/dbraw/zinc/35/01/81/211350181.db2.gz VUQXDBBVGYDRHG-RISCZKNCSA-N 1 0 357.292 3.500 20 10 FHCDRO CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1cc(Br)ccc1O ZINC000038013760 211349589 /nfs/dbraw/zinc/34/95/89/211349589.db2.gz VUQXDBBVGYDRHG-SMDDNHRTSA-N 1 0 357.292 3.500 20 10 FHCDRO COc1cc(Cl)cc(C[N@H+](C)C2CCN(c3ccccn3)CC2)c1O ZINC000359962564 132375931 /nfs/dbraw/zinc/37/59/31/132375931.db2.gz VNBDWJJZZMXULG-UHFFFAOYSA-N 1 0 361.873 3.550 20 10 FHCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000749552664 936331603 /nfs/dbraw/zinc/33/16/03/936331603.db2.gz WHKZZPSSTFYXGT-UHFFFAOYSA-N 1 0 367.873 3.804 20 10 FHCDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000122065460 937142521 /nfs/dbraw/zinc/14/25/21/937142521.db2.gz IZSYMKFNYWZRPQ-CQSZACIVSA-N 1 0 359.857 3.600 20 10 FHCDRO CCOc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160199534 927229743 /nfs/dbraw/zinc/22/97/43/927229743.db2.gz LIKVQEOZRBPCKR-IBGZPJMESA-N 1 0 357.450 3.678 20 10 FHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)CCS(C)(=O)=O)cc1 ZINC000134593228 929084564 /nfs/dbraw/zinc/08/45/64/929084564.db2.gz YQUQBXILYWRMMI-GOSISDBHSA-N 1 0 374.550 3.626 20 10 FHCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330254 929926756 /nfs/dbraw/zinc/92/67/56/929926756.db2.gz ZJMKRRUJVNOARO-QZTJIDSGSA-N 1 0 356.432 3.873 20 10 FHCDRO c1cc(N2CC[NH+](CC3CC3)CC2)ccc1CNc1nc(C2CC2)ns1 ZINC000091676385 937407812 /nfs/dbraw/zinc/40/78/12/937407812.db2.gz ROBKLQQKRIACJO-UHFFFAOYSA-N 1 0 369.538 3.560 20 10 FHCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccsc2Cl)[NH+](C)C)cc1 ZINC000891246409 930523111 /nfs/dbraw/zinc/52/31/11/930523111.db2.gz NKXCLYLSMWAODW-HNNXBMFYSA-N 1 0 351.903 3.500 20 10 FHCDRO CC(C)CCn1cccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000161704487 937435801 /nfs/dbraw/zinc/43/58/01/937435801.db2.gz JBRJMXWGKBWXTJ-UHFFFAOYSA-N 1 0 359.489 3.800 20 10 FHCDRO Cc1cc2c(ccnc2NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC001167423398 930922126 /nfs/dbraw/zinc/92/21/26/930922126.db2.gz YCLCMHBHNFEVEO-UHFFFAOYSA-N 1 0 352.507 3.969 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(F)cc4cccnc43)cc2)CC1 ZINC001167434699 931153215 /nfs/dbraw/zinc/15/32/15/931153215.db2.gz SRWMMZFLCBOOOK-UHFFFAOYSA-N 1 0 350.441 3.738 20 10 FHCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)c2ncc(C)s2)c1O ZINC000175981833 931568755 /nfs/dbraw/zinc/56/87/55/931568755.db2.gz NMPSVNFIAQBYMC-UHFFFAOYSA-N 1 0 371.300 3.953 20 10 FHCDRO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000276649386 932818318 /nfs/dbraw/zinc/81/83/18/932818318.db2.gz SQDNWVNSAPXKAV-IBGZPJMESA-N 1 0 356.441 3.535 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1 ZINC000156469924 933009113 /nfs/dbraw/zinc/00/91/13/933009113.db2.gz KUQRRIUASZNYJT-AWEZNQCLSA-N 1 0 365.399 3.788 20 10 FHCDRO COCc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000158523980 935616313 /nfs/dbraw/zinc/61/63/13/935616313.db2.gz XYZVVAXAMWSVRP-MRXNPFEDSA-N 1 0 358.457 3.660 20 10 FHCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000159223215 935816993 /nfs/dbraw/zinc/81/69/93/935816993.db2.gz CRVSPZQDHMWENS-CQSZACIVSA-N 1 0 364.486 3.536 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000472232393 935845139 /nfs/dbraw/zinc/84/51/39/935845139.db2.gz JMBNVDOBMAONFV-GOSISDBHSA-N 1 0 368.525 3.647 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1cnccn1 ZINC000152953054 935917381 /nfs/dbraw/zinc/91/73/81/935917381.db2.gz AOTNAJQTPCXJFJ-CYBMUJFWSA-N 1 0 366.387 3.695 20 10 FHCDRO C[C@@H]1C[C@@H]1c1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)o1 ZINC000255556449 936186183 /nfs/dbraw/zinc/18/61/83/936186183.db2.gz UEWOADUBQOHIAG-RWJXEWCUSA-N 1 0 362.520 3.698 20 10 FHCDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151572002 940004262 /nfs/dbraw/zinc/00/42/62/940004262.db2.gz DRLNGLFIFDHQOV-GAJHUEQPSA-N 1 0 350.506 3.918 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c(O)c1OC ZINC000892583770 940844662 /nfs/dbraw/zinc/84/46/62/940844662.db2.gz ZLAZEOFDIKGZHO-LLVKDONJSA-N 1 0 353.365 3.862 20 10 FHCDRO O=C1/C(=C/c2cccc3nccn32)SC(=S)N1c1ccc(F)cc1 ZINC000180309366 940953356 /nfs/dbraw/zinc/95/33/56/940953356.db2.gz KOFRDXFMGGBDGT-UVTDQMKNSA-N 1 0 355.419 3.879 20 10 FHCDRO C[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000163003026 941066569 /nfs/dbraw/zinc/06/65/69/941066569.db2.gz LXTCTXWJADEKSP-AWEZNQCLSA-N 1 0 364.411 3.834 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)c(O)c1OC ZINC000892720541 941449059 /nfs/dbraw/zinc/44/90/59/941449059.db2.gz MEQQKIWHJJWCNF-QGZVFWFLSA-N 1 0 355.438 3.773 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000376891911 941460880 /nfs/dbraw/zinc/46/08/80/941460880.db2.gz FWIIJSNEIGYDRT-UGSOOPFHSA-N 1 0 368.437 3.894 20 10 FHCDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(C)c(C)o1)c1ccccc1O ZINC000377690103 941903932 /nfs/dbraw/zinc/90/39/32/941903932.db2.gz DAEGDPXCYCQDJV-XYJFISCASA-N 1 0 361.461 3.650 20 10 FHCDRO COc1ccc(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)c(O)c1OC ZINC000893079730 941995818 /nfs/dbraw/zinc/99/58/18/941995818.db2.gz ZZPVDIMEDXDCNG-INIZCTEOSA-N 1 0 351.830 3.540 20 10 FHCDRO C[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CCN(Cc2ccncc2)CC1 ZINC000377925270 942074036 /nfs/dbraw/zinc/07/40/36/942074036.db2.gz UZCFDHOAMLJPRG-UHFFFAOYSA-N 1 0 363.864 3.676 20 10 FHCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000280062228 942095099 /nfs/dbraw/zinc/09/50/99/942095099.db2.gz KMELCAKNZFOKLM-ICSRJNTNSA-N 1 0 352.478 3.790 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015661 942102470 /nfs/dbraw/zinc/10/24/70/942102470.db2.gz GGEBSKPZLKSQSZ-CTNGQTDRSA-N 1 0 368.521 3.951 20 10 FHCDRO COc1ccc(N2CCC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000378352658 942634648 /nfs/dbraw/zinc/63/46/48/942634648.db2.gz ZDRDMPJFNXQJKS-IBGZPJMESA-N 1 0 373.522 3.716 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000182445762 942740008 /nfs/dbraw/zinc/74/00/08/942740008.db2.gz NJEDWKOBBSMLAA-QKKBWIMNSA-N 1 0 374.456 3.704 20 10 FHCDRO Cc1cccc(C[NH+]2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)c1O ZINC000378439659 942774234 /nfs/dbraw/zinc/77/42/34/942774234.db2.gz SPHUJLSBSHFKKS-SFHVURJKSA-N 1 0 366.509 3.788 20 10 FHCDRO Oc1cc(OCc2ccccc2)ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000182985260 942812625 /nfs/dbraw/zinc/81/26/25/942812625.db2.gz TZGNRDOUYZREQU-GOSISDBHSA-N 1 0 353.462 3.972 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccsc2Br)c(O)c1OC ZINC000894264893 942866078 /nfs/dbraw/zinc/86/60/78/942866078.db2.gz UDUBEFHECZUJMY-UHFFFAOYSA-N 1 0 358.257 3.523 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862790 942880061 /nfs/dbraw/zinc/88/00/61/942880061.db2.gz ZEYJVWRAUCFFNS-CYZMBNFOSA-N 1 0 357.267 3.571 20 10 FHCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273300322 942927298 /nfs/dbraw/zinc/92/72/98/942927298.db2.gz BEXRIZXGZBUNOF-OAHLLOKOSA-N 1 0 352.434 3.816 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c(O)c1 ZINC000273407065 942949425 /nfs/dbraw/zinc/94/94/25/942949425.db2.gz OQYFCCGHFXRQQT-NSHDSACASA-N 1 0 350.344 3.613 20 10 FHCDRO COc1c(O)c(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[N+](=O)[O-] ZINC000278826919 943017189 /nfs/dbraw/zinc/01/71/89/943017189.db2.gz IEQCNHNFXQZMPU-MRXNPFEDSA-N 1 0 370.409 3.672 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c(O)c1 ZINC000184864308 943059541 /nfs/dbraw/zinc/05/95/41/943059541.db2.gz NSCCFTBEICFCBB-JXFKEZNVSA-N 1 0 358.457 3.564 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)c(O)c1 ZINC000185629736 943196924 /nfs/dbraw/zinc/19/69/24/943196924.db2.gz GHSBWCRGRRPCSR-GOSISDBHSA-N 1 0 366.505 3.833 20 10 FHCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000272879935 943237566 /nfs/dbraw/zinc/23/75/66/943237566.db2.gz XMXMMICJFPUBQK-UHFFFAOYSA-N 1 0 351.368 3.948 20 10 FHCDRO C[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000273018200 943260641 /nfs/dbraw/zinc/26/06/41/943260641.db2.gz SZBDJLXBMWIUTI-QGZVFWFLSA-N 1 0 371.525 3.887 20 10 FHCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186827058 943376235 /nfs/dbraw/zinc/37/62/35/943376235.db2.gz GSSTWPZFARLPLC-LRQRDZAKSA-N 1 0 364.505 3.907 20 10 FHCDRO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000311297747 944531685 /nfs/dbraw/zinc/53/16/85/944531685.db2.gz SQDICUZZILDYDY-AATRIKPKSA-N 1 0 359.514 3.847 20 10 FHCDRO CCc1cccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1O ZINC000709423667 944619959 /nfs/dbraw/zinc/61/99/59/944619959.db2.gz QCJPHOHOPJIJTA-WBAXXEDZSA-N 1 0 360.498 3.832 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1O ZINC000894795678 944623417 /nfs/dbraw/zinc/62/34/17/944623417.db2.gz SIHOXUQGMJBJQA-OAQYLSRUSA-N 1 0 353.462 3.893 20 10 FHCDRO CCCN(Cc1csc(N(C(C)=O)C2CC2)n1)c1ccc(C[NH3+])cc1 ZINC000194981384 944776947 /nfs/dbraw/zinc/77/69/47/944776947.db2.gz PPXVPLIFYQCPLO-UHFFFAOYSA-N 1 0 358.511 3.534 20 10 FHCDRO CCC[N@H+](CC(=O)c1cc(C)n(CCOC)c1C)Cc1ccccc1O ZINC000085791589 944825114 /nfs/dbraw/zinc/82/51/14/944825114.db2.gz PMDPQVATCLWRLV-UHFFFAOYSA-N 1 0 358.482 3.552 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000820425661 945447186 /nfs/dbraw/zinc/44/71/86/945447186.db2.gz ACRQHOODILKJTM-INIZCTEOSA-N 1 0 362.481 3.708 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c1O ZINC000894859137 945507864 /nfs/dbraw/zinc/50/78/64/945507864.db2.gz DOIQXBKSIUXFFM-CQSZACIVSA-N 1 0 355.413 3.885 20 10 FHCDRO C[N@H+](Cc1ccccc1CNC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000237151759 945716943 /nfs/dbraw/zinc/71/69/43/945716943.db2.gz CPHZRSHBRWOCRJ-UHFFFAOYSA-N 1 0 365.521 3.892 20 10 FHCDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c(O)c1OC ZINC000894486900 945780084 /nfs/dbraw/zinc/78/00/84/945780084.db2.gz YTAYPHNJYPXTBL-INIZCTEOSA-N 1 0 359.470 3.867 20 10 FHCDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000840719914 945809289 /nfs/dbraw/zinc/80/92/89/945809289.db2.gz WYMFOJDNPOBHRR-SFTDATJTSA-N 1 0 374.569 3.967 20 10 FHCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cccs3)CC2)cc1 ZINC000162807412 945910233 /nfs/dbraw/zinc/91/02/33/945910233.db2.gz OIBUWDCGMSMYTG-QGZVFWFLSA-N 1 0 359.539 3.620 20 10 FHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c(Cl)c1 ZINC000840882901 946433951 /nfs/dbraw/zinc/43/39/51/946433951.db2.gz BWEPPOGSTUFZIA-INIZCTEOSA-N 1 0 374.912 3.865 20 10 FHCDRO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1cc(Br)ccc1O ZINC000756762746 946608622 /nfs/dbraw/zinc/60/86/22/946608622.db2.gz ZKILQAITWSJSKA-SNVBAGLBSA-N 1 0 371.662 3.933 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000840935240 946835406 /nfs/dbraw/zinc/83/54/06/946835406.db2.gz JFDQCRTXPBLBSE-SFHVURJKSA-N 1 0 363.299 3.647 20 10 FHCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCCCN(Cc3ccccc3)C2)c1 ZINC000709629098 947002772 /nfs/dbraw/zinc/00/27/72/947002772.db2.gz OFTHBADABLHSRX-HXUWFJFHSA-N 1 0 354.494 3.935 20 10 FHCDRO CCCN(CCC)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1 ZINC000897264949 947070782 /nfs/dbraw/zinc/07/07/82/947070782.db2.gz PVROZDSCAXKBDA-OAQYLSRUSA-N 1 0 360.542 3.819 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(C2)CCCC3)C1 ZINC000444356472 947098003 /nfs/dbraw/zinc/09/80/03/947098003.db2.gz KEJJPXWWVWHPPS-UHFFFAOYSA-N 1 0 365.521 3.810 20 10 FHCDRO C[C@H]([NH2+]CCCCNc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162918547 947860065 /nfs/dbraw/zinc/86/00/65/947860065.db2.gz UKJULGJQXKKBAT-KRWDZBQOSA-N 1 0 372.488 3.600 20 10 FHCDRO CN(C(=O)c1cccc2c1CC[NH2+]C2)c1cccc(OC(F)(F)F)c1 ZINC000662577646 947911651 /nfs/dbraw/zinc/91/16/51/947911651.db2.gz BPUOCZXTXQADCR-UHFFFAOYSA-N 1 0 350.340 3.508 20 10 FHCDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(OC)c1OC ZINC000163015037 948231105 /nfs/dbraw/zinc/23/11/05/948231105.db2.gz PVVNQRMZRLWJKL-OAHLLOKOSA-N 1 0 358.482 3.672 20 10 FHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821220478 607355807 /nfs/dbraw/zinc/35/58/07/607355807.db2.gz ASPZDUAHIJYHCC-OAHLLOKOSA-N 1 0 350.470 3.516 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CCCC1 ZINC000738401088 598620840 /nfs/dbraw/zinc/62/08/40/598620840.db2.gz OQFFRGKIEGVKSF-UHFFFAOYSA-N 1 0 367.428 3.656 20 10 FHCDRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCCCC2)cc1 ZINC000820432966 606996534 /nfs/dbraw/zinc/99/65/34/606996534.db2.gz UNDHKZLFLSYRRL-MRXNPFEDSA-N 1 0 362.481 3.708 20 10 FHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826517352 608500860 /nfs/dbraw/zinc/50/08/60/608500860.db2.gz ZLHNKBUEJBYEAN-OAQYLSRUSA-N 1 0 374.492 3.634 20 10 FHCDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(-c2ccccc2)ccc1O ZINC000825957808 608524139 /nfs/dbraw/zinc/52/41/39/608524139.db2.gz GIVPUBQXWVQWTA-UHFFFAOYSA-N 1 0 371.444 3.871 20 10 FHCDRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)oc1C ZINC000162738731 937267703 /nfs/dbraw/zinc/26/77/03/937267703.db2.gz TXRITZCLFPAVJE-KRWDZBQOSA-N 1 0 370.541 3.920 20 10 FHCDRO C[C@@H](C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001208897972 928917072 /nfs/dbraw/zinc/91/70/72/928917072.db2.gz JQOFQEDUDLMPSM-NSHDSACASA-N 1 0 356.310 3.906 20 10 FHCDRO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000155927405 937374761 /nfs/dbraw/zinc/37/47/61/937374761.db2.gz HRTCJCNXTYVQFF-SFHVURJKSA-N 1 0 365.525 3.787 20 10 FHCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C12CCCCC2 ZINC000236898632 929986246 /nfs/dbraw/zinc/98/62/46/929986246.db2.gz CDZAEQNBLXNLBQ-NHCUHLMSSA-N 1 0 358.526 3.741 20 10 FHCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1OC ZINC000160476429 930581492 /nfs/dbraw/zinc/58/14/92/930581492.db2.gz KMJGTTQFUWAGGF-AWEZNQCLSA-N 1 0 363.841 3.716 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)nc4ccsc43)cc2)CC1 ZINC001167422960 930919181 /nfs/dbraw/zinc/91/91/81/930919181.db2.gz IIXSAOJLERQGPX-UHFFFAOYSA-N 1 0 373.913 3.709 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3nccc(C(F)(F)F)c3F)cc2)CC1 ZINC001167423268 930921366 /nfs/dbraw/zinc/92/13/66/930921366.db2.gz UCCVLZZJRQXSAJ-UHFFFAOYSA-N 1 0 368.378 3.603 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1 ZINC001167430993 931031232 /nfs/dbraw/zinc/03/12/32/931031232.db2.gz ANWQPMGUGCVZIM-UHFFFAOYSA-N 1 0 360.299 3.813 20 10 FHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(OC)c1OC ZINC000156839129 931616971 /nfs/dbraw/zinc/61/69/71/931616971.db2.gz KMUCSYQLELRLRN-UHFFFAOYSA-N 1 0 358.482 3.801 20 10 FHCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000156846191 931618506 /nfs/dbraw/zinc/61/85/06/931618506.db2.gz NDAKCRSKNINUOK-UHFFFAOYSA-N 1 0 358.482 3.801 20 10 FHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cnn1C(C)(C)C ZINC000276295282 932147454 /nfs/dbraw/zinc/14/74/54/932147454.db2.gz BUUPEFOZZFIGEH-MRXNPFEDSA-N 1 0 356.514 3.634 20 10 FHCDRO COc1ccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(O)c1OC ZINC000891473866 932623652 /nfs/dbraw/zinc/62/36/52/932623652.db2.gz IFLVSIJBTJSYII-UHFFFAOYSA-N 1 0 353.365 3.643 20 10 FHCDRO CN(C)c1ccc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276779299 933365923 /nfs/dbraw/zinc/36/59/23/933365923.db2.gz DCOLMBXIRLDXLR-LJQANCHMSA-N 1 0 370.497 3.757 20 10 FHCDRO CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)CC[NH+](C)C)cc1 ZINC000255413577 934129058 /nfs/dbraw/zinc/12/90/58/934129058.db2.gz VZHKAJXYSSFEEE-UHFFFAOYSA-N 1 0 353.470 3.802 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1 ZINC000277002296 934430198 /nfs/dbraw/zinc/43/01/98/934430198.db2.gz ANFKJSKHRVPZLB-GFCCVEGCSA-N 1 0 353.871 3.608 20 10 FHCDRO C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178474038 934783900 /nfs/dbraw/zinc/78/39/00/934783900.db2.gz JETJSAKEYZEVGM-HNNXBMFYSA-N 1 0 362.420 3.531 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000472053327 934899666 /nfs/dbraw/zinc/89/96/66/934899666.db2.gz HYCRNRQGXUXEND-SFHVURJKSA-N 1 0 370.541 3.654 20 10 FHCDRO CC[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1O ZINC000156754869 934938569 /nfs/dbraw/zinc/93/85/69/934938569.db2.gz UDQZVYPUHWAMGZ-HOTGVXAUSA-N 1 0 350.256 3.929 20 10 FHCDRO COc1ccc(C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)c(O)c1OC ZINC000892117220 935040647 /nfs/dbraw/zinc/04/06/47/935040647.db2.gz HZQIQPNRLZLRGV-UHFFFAOYSA-N 1 0 371.477 3.510 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000472224994 935697582 /nfs/dbraw/zinc/69/75/82/935697582.db2.gz PAZFQSNQSMBIEQ-GOSISDBHSA-N 1 0 368.525 3.647 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000472227285 935760496 /nfs/dbraw/zinc/76/04/96/935760496.db2.gz VUHWXKZOTHMDMP-UHFFFAOYSA-N 1 0 356.514 3.503 20 10 FHCDRO C[C@H](NC(=O)C(F)(F)F)c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167628399 936220293 /nfs/dbraw/zinc/22/02/93/936220293.db2.gz RLIRJECJUKAMAL-LBPRGKRZSA-N 1 0 371.447 3.911 20 10 FHCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000164237281 941113533 /nfs/dbraw/zinc/11/35/33/941113533.db2.gz WYYVBZDBSBTPNE-CABCVRRESA-N 1 0 361.511 3.536 20 10 FHCDRO COc1ccc(O)c(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1 ZINC000311298767 941225704 /nfs/dbraw/zinc/22/57/04/941225704.db2.gz VXJKLCWDAOLICC-QGZVFWFLSA-N 1 0 364.486 3.574 20 10 FHCDRO Fc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OC(F)F ZINC000168149110 941327369 /nfs/dbraw/zinc/32/73/69/941327369.db2.gz BVJKBKNZIZRTOU-UHFFFAOYSA-N 1 0 366.383 3.554 20 10 FHCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1F ZINC000122325621 941528408 /nfs/dbraw/zinc/52/84/08/941528408.db2.gz ODSVOZSFUDSLRX-UHFFFAOYSA-N 1 0 361.505 3.553 20 10 FHCDRO COc1cc(C)cc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1O ZINC000178888020 941835093 /nfs/dbraw/zinc/83/50/93/941835093.db2.gz JXTMAPMULCRALX-UHFFFAOYSA-N 1 0 364.486 3.541 20 10 FHCDRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cccc(OC)c1O ZINC000377623921 941853565 /nfs/dbraw/zinc/85/35/65/941853565.db2.gz IXWHSOORMAAXIM-UHFFFAOYSA-N 1 0 350.418 3.761 20 10 FHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000377641815 941865193 /nfs/dbraw/zinc/86/51/93/941865193.db2.gz DRYTZXOTGAWBAD-UGSOOPFHSA-N 1 0 358.438 3.528 20 10 FHCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)Oc3ccccc3)CC2)cc1C ZINC000066795950 941886134 /nfs/dbraw/zinc/88/61/34/941886134.db2.gz NAJSIQXIRXWBQV-UHFFFAOYSA-N 1 0 354.450 3.762 20 10 FHCDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C)c1ccccc1O ZINC000377714127 941926436 /nfs/dbraw/zinc/92/64/36/941926436.db2.gz FEXRFPVIMLOBAK-TXPKVOOTSA-N 1 0 361.461 3.650 20 10 FHCDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015701 942120720 /nfs/dbraw/zinc/12/07/20/942120720.db2.gz GMSMZEYFWVMUAO-APWZRJJASA-N 1 0 374.912 3.987 20 10 FHCDRO Cc1ccc([C@@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280627530 942217366 /nfs/dbraw/zinc/21/73/66/942217366.db2.gz GNSQIIREFQPFQD-JXFKEZNVSA-N 1 0 361.507 3.581 20 10 FHCDRO Cc1ccc([C@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280627533 942217499 /nfs/dbraw/zinc/21/74/99/942217499.db2.gz GNSQIIREFQPFQD-OXJNMPFZSA-N 1 0 361.507 3.581 20 10 FHCDRO COc1ccc(C[NH2+]C[C@H](OC)c2ccccc2Cl)c(O)c1OC ZINC000893169729 942362244 /nfs/dbraw/zinc/36/22/44/942362244.db2.gz UOIVTVPJGFIYCE-INIZCTEOSA-N 1 0 351.830 3.540 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)c1 ZINC000182372763 942726767 /nfs/dbraw/zinc/72/67/67/942726767.db2.gz CWSUAAMURRCXGV-AWEZNQCLSA-N 1 0 350.418 3.843 20 10 FHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)c1O ZINC000378465448 942795849 /nfs/dbraw/zinc/79/58/49/942795849.db2.gz GQBQCGDUWTYCSI-HXUWFJFHSA-N 1 0 357.425 3.991 20 10 FHCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc2C1 ZINC000378501583 942832647 /nfs/dbraw/zinc/83/26/47/942832647.db2.gz TYRFJCQHZCAKDK-QHCPKHFHSA-N 1 0 363.505 3.870 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)c(O)c1C ZINC000363855871 942861097 /nfs/dbraw/zinc/86/10/97/942861097.db2.gz BHBXXQPZKSWBPY-AZUAARDMSA-N 1 0 353.510 3.967 20 10 FHCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273349454 942937281 /nfs/dbraw/zinc/93/72/81/942937281.db2.gz BKCARQDCSNBTRM-XZJROXQQSA-N 1 0 373.324 3.727 20 10 FHCDRO C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(F)cc1O ZINC000273449280 942959336 /nfs/dbraw/zinc/95/93/36/942959336.db2.gz FRXRFBYWCNLISE-AWEZNQCLSA-N 1 0 358.461 3.630 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)c1 ZINC000273508621 942974528 /nfs/dbraw/zinc/97/45/28/942974528.db2.gz RHFSHXMMOPIKFE-ZDUSSCGKSA-N 1 0 355.463 3.813 20 10 FHCDRO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Br)ccc1O ZINC000273519246 942975969 /nfs/dbraw/zinc/97/59/69/942975969.db2.gz TXNNLYLYFARSDE-ZUZCIYMTSA-N 1 0 354.219 3.678 20 10 FHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000271740765 943043052 /nfs/dbraw/zinc/04/30/52/943043052.db2.gz CFRMRWWFKZKGKV-LSDHHAIUSA-N 1 0 373.428 3.982 20 10 FHCDRO C[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000273018195 943260775 /nfs/dbraw/zinc/26/07/75/943260775.db2.gz SZBDJLXBMWIUTI-KRWDZBQOSA-N 1 0 371.525 3.887 20 10 FHCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccc(F)cc2C1 ZINC000364066294 943481230 /nfs/dbraw/zinc/48/12/30/943481230.db2.gz YHYZIBFVGQQHEE-HXUWFJFHSA-N 1 0 373.447 3.614 20 10 FHCDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O ZINC000756532816 943756854 /nfs/dbraw/zinc/75/68/54/943756854.db2.gz GLGILHODHZEAES-LLVKDONJSA-N 1 0 365.227 3.956 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3CCC[C@H]3C2)C1 ZINC000435814494 943771623 /nfs/dbraw/zinc/77/16/23/943771623.db2.gz WCUKKCJRLWFBEA-ROUUACIJSA-N 1 0 365.521 3.666 20 10 FHCDRO CC[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000435806890 943782215 /nfs/dbraw/zinc/78/22/15/943782215.db2.gz FIODZUWFPAZAMB-KRWDZBQOSA-N 1 0 353.510 3.666 20 10 FHCDRO CC[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000435806891 943782922 /nfs/dbraw/zinc/78/29/22/943782922.db2.gz FIODZUWFPAZAMB-QGZVFWFLSA-N 1 0 353.510 3.666 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C3CC3)C2)C1 ZINC000436029744 943950823 /nfs/dbraw/zinc/95/08/23/943950823.db2.gz GPERYSOELCCUPI-SFHVURJKSA-N 1 0 365.521 3.666 20 10 FHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001167745795 943979936 /nfs/dbraw/zinc/97/99/36/943979936.db2.gz IMWNPXNZIJWHSU-OAQYLSRUSA-N 1 0 366.509 3.929 20 10 FHCDRO COc1ccc(N2CCC([NH2+]Cc3nccn3-c3ccccc3)CC2)cc1 ZINC000190928475 944098647 /nfs/dbraw/zinc/09/86/47/944098647.db2.gz NEBTXZPKOJETAR-UHFFFAOYSA-N 1 0 362.477 3.640 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4c(cccc4OC)C3)CC2)cc1 ZINC000192441403 944343262 /nfs/dbraw/zinc/34/32/62/944343262.db2.gz JKFSPNQQLQDVAB-LJQANCHMSA-N 1 0 366.505 3.820 20 10 FHCDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000123566651 944373367 /nfs/dbraw/zinc/37/33/67/944373367.db2.gz FVMSNQNUEFEHPB-FOIQADDNSA-N 1 0 360.885 3.561 20 10 FHCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1C ZINC000709414185 944532727 /nfs/dbraw/zinc/53/27/27/944532727.db2.gz YQENCDSVIUXVPL-KSZLIROESA-N 1 0 360.498 3.881 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C)c1 ZINC000311299881 944535107 /nfs/dbraw/zinc/53/51/07/944535107.db2.gz JJKGVSUUJZNAHF-CABCVRRESA-N 1 0 366.502 3.991 20 10 FHCDRO COc1cc(N2CC[NH+](Cc3c(C)cccc3C)CC2)cc(OC)c1OC ZINC000759873200 944659432 /nfs/dbraw/zinc/65/94/32/944659432.db2.gz SBPUJZVBEPHLIZ-UHFFFAOYSA-N 1 0 370.493 3.651 20 10 FHCDRO C[C@H]([NH2+][C@@H]1C[C@@H](CO)c2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000364449992 944741705 /nfs/dbraw/zinc/74/17/05/944741705.db2.gz LDGBTUCFSOWLFX-TXBYWVTISA-N 1 0 366.505 3.519 20 10 FHCDRO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000194857573 944753667 /nfs/dbraw/zinc/75/36/67/944753667.db2.gz PUYVBVWIJOGQGC-FQEVSTJZSA-N 1 0 370.468 3.838 20 10 FHCDRO CCOc1ccc(O)c(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000194946398 944770817 /nfs/dbraw/zinc/77/08/17/944770817.db2.gz DAMZFVQUMMTHRG-UHFFFAOYSA-N 1 0 361.869 3.928 20 10 FHCDRO OC1CCN(c2ccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)cc2F)CC1 ZINC000281351013 945600280 /nfs/dbraw/zinc/60/02/80/945600280.db2.gz VKADQWUMDFQILS-OAQYLSRUSA-N 1 0 373.447 3.562 20 10 FHCDRO COc1ccsc1[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840757450 946140139 /nfs/dbraw/zinc/14/01/39/946140139.db2.gz AAWKZMIBYJSNPV-LBPRGKRZSA-N 1 0 368.449 3.722 20 10 FHCDRO COc1ccc(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)c(O)c1OC ZINC000896943280 946345609 /nfs/dbraw/zinc/34/56/09/946345609.db2.gz SWDPXYRQCCAETC-UHFFFAOYSA-N 1 0 374.506 3.734 20 10 FHCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(Br)cc3O)C2)n1 ZINC000897044886 946520306 /nfs/dbraw/zinc/52/03/06/946520306.db2.gz PURYUSSPIAMGBX-MFKMUULPSA-N 1 0 366.259 3.526 20 10 FHCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccccc1O ZINC000760032538 946946288 /nfs/dbraw/zinc/94/62/88/946946288.db2.gz GSOGUTGRJCLMIJ-KGLIPLIRSA-N 1 0 364.283 3.657 20 10 FHCDRO CC(C)[C@H]1CCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444351338 947095839 /nfs/dbraw/zinc/09/58/39/947095839.db2.gz JSEYGSDIZWULJZ-LJQANCHMSA-N 1 0 353.510 3.665 20 10 FHCDRO COc1c([O-])c(C[NH2+][C@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278857367 947546256 /nfs/dbraw/zinc/54/62/56/947546256.db2.gz LSDHNOWSQZTXCN-SNVBAGLBSA-N 1 0 368.336 3.761 20 10 FHCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000066990789 948576637 /nfs/dbraw/zinc/57/66/37/948576637.db2.gz FNOBEAFVLIYLCF-QGZVFWFLSA-N 1 0 372.484 3.782 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc3c2OCC3)c(O)c1OC ZINC000897339744 948789474 /nfs/dbraw/zinc/78/94/74/948789474.db2.gz MIMGSUGDZKXXEW-LLVKDONJSA-N 1 0 363.841 3.849 20 10 FHCDRO COc1c(O)c(C[NH2+][C@@H](c2ccccn2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000365386414 568602089 /nfs/dbraw/zinc/60/20/89/568602089.db2.gz QUWVJKNVWWBNHZ-QGZVFWFLSA-N 1 0 357.410 3.725 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821197967 599395291 /nfs/dbraw/zinc/39/52/91/599395291.db2.gz PRWGUJLCLWALLL-OAHLLOKOSA-N 1 0 350.470 3.564 20 10 FHCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821164301 607012439 /nfs/dbraw/zinc/01/24/39/607012439.db2.gz BBVYUCISODBPQO-GJZGRUSLSA-N 1 0 350.470 3.735 20 10 FHCDRO C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])CC1CC[NH+](C)CC1 ZINC000708211761 937163398 /nfs/dbraw/zinc/16/33/98/937163398.db2.gz PTRZTLZKUNQWLV-UHFFFAOYSA-N 1 0 361.711 3.582 20 10 FHCDRO CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Br)ccc1O ZINC000274914557 929029972 /nfs/dbraw/zinc/02/99/72/929029972.db2.gz OACWHYOJEKLLKL-KBPBESRZSA-N 1 0 350.260 3.996 20 10 FHCDRO CCc1ccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)o1 ZINC000177641666 929766062 /nfs/dbraw/zinc/76/60/62/929766062.db2.gz NONRLBXYKZPMNL-ZROIWOOFSA-N 1 0 352.525 3.631 20 10 FHCDRO CC[N@@H+](Cc1cc(OC)c(C)cc1O)CC1CCN(c2ccccn2)CC1 ZINC000160321565 929786210 /nfs/dbraw/zinc/78/62/10/929786210.db2.gz RXCPRAGFJFUTBP-UHFFFAOYSA-N 1 0 369.509 3.843 20 10 FHCDRO Oc1cccc(Br)c1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001279219513 930333968 /nfs/dbraw/zinc/33/39/68/930333968.db2.gz FDPABHAABYNLEF-UHFFFAOYSA-N 1 0 365.315 3.605 20 10 FHCDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000160425191 930364581 /nfs/dbraw/zinc/36/45/81/930364581.db2.gz JHPQKCIAAIYIOE-CQSZACIVSA-N 1 0 362.495 3.938 20 10 FHCDRO CCCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CC1 ZINC001266613067 930702642 /nfs/dbraw/zinc/70/26/42/930702642.db2.gz LLQNZZXETASAOX-UHFFFAOYSA-N 1 0 353.510 3.809 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)nc4sccc43)cc2)CC1 ZINC001167423448 930923611 /nfs/dbraw/zinc/92/36/11/930923611.db2.gz ZUEYSJBCASYPBO-UHFFFAOYSA-N 1 0 373.913 3.709 20 10 FHCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1C(F)(F)F ZINC001167427026 930951061 /nfs/dbraw/zinc/95/10/61/930951061.db2.gz ULNCXRLJASCSEZ-UHFFFAOYSA-N 1 0 364.415 3.773 20 10 FHCDRO CC[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(N(C)C)cc1 ZINC000160603417 931036273 /nfs/dbraw/zinc/03/62/73/931036273.db2.gz SOEAEFAMOAJNON-HSZRJFAPSA-N 1 0 367.537 3.826 20 10 FHCDRO CCc1nc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2o1 ZINC001167434356 931142319 /nfs/dbraw/zinc/14/23/19/931142319.db2.gz KNJKJDNJILBODO-UHFFFAOYSA-N 1 0 350.466 3.754 20 10 FHCDRO CC(C)C(=O)Nc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167434552 931151486 /nfs/dbraw/zinc/15/14/86/931151486.db2.gz PXYCTCQPMNMZKU-UHFFFAOYSA-N 1 0 366.509 3.645 20 10 FHCDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000067247396 931764305 /nfs/dbraw/zinc/76/43/05/931764305.db2.gz PTRCWLVXZLYCKJ-IIBYNOLFSA-N 1 0 354.494 3.902 20 10 FHCDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)C1 ZINC000588405959 931793981 /nfs/dbraw/zinc/79/39/81/931793981.db2.gz NKUCGIMDHVAUCM-MRDWYFFCSA-N 1 0 366.461 3.982 20 10 FHCDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588407425 931917184 /nfs/dbraw/zinc/91/71/84/931917184.db2.gz FKNQCDSXIDPIEK-BQLWYNFJSA-N 1 0 372.509 3.614 20 10 FHCDRO CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCn2ccnc2)cc1 ZINC000255321556 932247118 /nfs/dbraw/zinc/24/71/18/932247118.db2.gz AWLAMZNQPMYORR-UHFFFAOYSA-N 1 0 362.437 3.795 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(Cl)ccc1O ZINC000277085293 934486366 /nfs/dbraw/zinc/48/63/66/934486366.db2.gz KBNOHXCQCNRASM-SNVBAGLBSA-N 1 0 374.289 3.953 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1C ZINC000277172287 934733204 /nfs/dbraw/zinc/73/32/04/934733204.db2.gz SCAWEGPUXAFBDB-ZDUSSCGKSA-N 1 0 367.898 3.917 20 10 FHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277389266 935065794 /nfs/dbraw/zinc/06/57/94/935065794.db2.gz DFBWSSWPMLGQPO-SFHVURJKSA-N 1 0 353.422 3.556 20 10 FHCDRO COc1ccc(N2CCC([NH2+]C[C@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152275677 935350907 /nfs/dbraw/zinc/35/09/07/935350907.db2.gz VFGVIDRUIJQKGQ-OAQYLSRUSA-N 1 0 369.509 3.684 20 10 FHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@H+](C)C3CCCC3)ccc21 ZINC000519112079 945131814 /nfs/dbraw/zinc/13/18/14/945131814.db2.gz WMOMLCJUEVPEJJ-UHFFFAOYSA-N 1 0 371.525 3.509 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(NC(N)=O)cc3)CC2)cc1 ZINC000157378371 938362290 /nfs/dbraw/zinc/36/22/90/938362290.db2.gz UYKXEHPEZQTING-HNNXBMFYSA-N 1 0 368.481 3.505 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(NC(N)=O)cc3)CC2)cc1 ZINC000157378513 938362295 /nfs/dbraw/zinc/36/22/95/938362295.db2.gz UYKXEHPEZQTING-OAHLLOKOSA-N 1 0 368.481 3.505 20 10 FHCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)c1 ZINC000157713491 938416071 /nfs/dbraw/zinc/41/60/71/938416071.db2.gz SMNBPFHCUSDMKP-SFHVURJKSA-N 1 0 364.440 3.731 20 10 FHCDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157723464 938423068 /nfs/dbraw/zinc/42/30/68/938423068.db2.gz NTRZRVJGNMHNNM-VCBZYWHSSA-N 1 0 367.484 3.575 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000157768932 938427556 /nfs/dbraw/zinc/42/75/56/938427556.db2.gz RPGAVGFOHRVVOR-FGZHOGPDSA-N 1 0 352.478 3.784 20 10 FHCDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000278589748 938562062 /nfs/dbraw/zinc/56/20/62/938562062.db2.gz DTJHPMIDNPANRY-UHFFFAOYSA-N 1 0 365.437 3.751 20 10 FHCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(Br)cc2)cc1OC ZINC000158833706 938874530 /nfs/dbraw/zinc/87/45/30/938874530.db2.gz AHJIDMMJSCULCO-UHFFFAOYSA-N 1 0 366.255 3.804 20 10 FHCDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000310049955 939121058 /nfs/dbraw/zinc/12/10/58/939121058.db2.gz LKZJIRYCEFBKRZ-ZDUSSCGKSA-N 1 0 354.878 3.925 20 10 FHCDRO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237141153 945244953 /nfs/dbraw/zinc/24/49/53/945244953.db2.gz PXYZQQNHNZZOEE-UHFFFAOYSA-N 1 0 372.484 3.782 20 10 FHCDRO Oc1ccc(Cl)c(Cl)c1CN1CC2(C1)CC[N@H+](Cc1ccc[nH]1)C2 ZINC001279676483 939911139 /nfs/dbraw/zinc/91/11/39/939911139.db2.gz FNFPALVUJOSJSR-UHFFFAOYSA-N 1 0 366.292 3.735 20 10 FHCDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000179669515 939918131 /nfs/dbraw/zinc/91/81/31/939918131.db2.gz ZLTAKBVEYYAFIV-QGZVFWFLSA-N 1 0 369.509 3.507 20 10 FHCDRO CC1(O)CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000177187943 940004486 /nfs/dbraw/zinc/00/44/86/940004486.db2.gz KJOHHHNAZINPOI-UHFFFAOYSA-N 1 0 350.256 3.655 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cc(F)ccc1O ZINC000310647608 940284031 /nfs/dbraw/zinc/28/40/31/940284031.db2.gz DUAPZPROXYECBF-IPYPFGDCSA-N 1 0 352.450 3.970 20 10 FHCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178070468 940627817 /nfs/dbraw/zinc/62/78/17/940627817.db2.gz RSPYLEXZSRKEEH-HIFRSBDPSA-N 1 0 364.440 3.650 20 10 FHCDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccccc1O)C1CCCCC1 ZINC000892598797 940901225 /nfs/dbraw/zinc/90/12/25/940901225.db2.gz NDUBJKXQSSYBRP-GGPHIMKMSA-N 1 0 371.525 3.767 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(O)c1OC ZINC000892693101 941313647 /nfs/dbraw/zinc/31/36/47/941313647.db2.gz BSMOMVQZOVZPNH-WMZOPIPTSA-N 1 0 361.413 3.558 20 10 FHCDRO COC1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000376836134 941446573 /nfs/dbraw/zinc/44/65/73/941446573.db2.gz IEMOWPKRPSGQBY-UHFFFAOYSA-N 1 0 354.441 3.804 20 10 FHCDRO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccccc1O ZINC000117881607 941710088 /nfs/dbraw/zinc/71/00/88/941710088.db2.gz GCXPEYQEIALRQR-QFIPXVFZSA-N 1 0 358.290 3.939 20 10 FHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000377625380 941850352 /nfs/dbraw/zinc/85/03/52/941850352.db2.gz MGQKAASAJNZKPV-AEFFLSMTSA-N 1 0 358.486 3.521 20 10 FHCDRO COc1ccc(C[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c(O)c1OC ZINC000893004579 941872932 /nfs/dbraw/zinc/87/29/32/941872932.db2.gz WIZZBGOGWPGCKC-ZDUSSCGKSA-N 1 0 372.248 3.539 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(c3noc(C(F)F)n3)CC2)c1 ZINC000377706089 941915361 /nfs/dbraw/zinc/91/53/61/941915361.db2.gz YFYWVAPRILZNDC-JTQLQIEISA-N 1 0 353.369 3.662 20 10 FHCDRO Oc1ccccc1C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000377756422 941968981 /nfs/dbraw/zinc/96/89/81/941968981.db2.gz AGRXKJMLYTUGSG-UHFFFAOYSA-N 1 0 363.339 3.837 20 10 FHCDRO Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@@H](C)C2)s1 ZINC000377790477 941990608 /nfs/dbraw/zinc/99/06/08/941990608.db2.gz KJALLWDNRCNFJU-MGPUTAFESA-N 1 0 358.555 3.518 20 10 FHCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)c1O ZINC000894231583 942014877 /nfs/dbraw/zinc/01/48/77/942014877.db2.gz YECNKKIZFRUHAQ-UHFFFAOYSA-N 1 0 371.477 3.695 20 10 FHCDRO CC[C@H](c1ccccc1O)[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000377902576 942061327 /nfs/dbraw/zinc/06/13/27/942061327.db2.gz FRNXYUPBAFSZAR-OAQYLSRUSA-N 1 0 353.510 3.877 20 10 FHCDRO C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H](C)O1 ZINC000016075220 942091957 /nfs/dbraw/zinc/09/19/57/942091957.db2.gz RHQHCUVDDHELCA-TXEJJXNPSA-N 1 0 350.256 3.917 20 10 FHCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C)cc1O ZINC000280062234 942094730 /nfs/dbraw/zinc/09/47/30/942094730.db2.gz KMELCAKNZFOKLM-UYAOXDASSA-N 1 0 352.478 3.790 20 10 FHCDRO COc1ccc(CNc2ccc(Cl)c(C[NH+](C)C)c2)c(O)c1OC ZINC000894240009 942164663 /nfs/dbraw/zinc/16/46/63/942164663.db2.gz PPMIBOATKWDGPK-UHFFFAOYSA-N 1 0 350.846 3.737 20 10 FHCDRO C[C@H](C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1)CS(C)(=O)=O ZINC000179645126 942263556 /nfs/dbraw/zinc/26/35/56/942263556.db2.gz PAMIAAHBABXWHO-SJORKVTESA-N 1 0 361.507 3.636 20 10 FHCDRO COc1ccccc1OCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756371711 942371009 /nfs/dbraw/zinc/37/10/09/942371009.db2.gz NGVCWGWMILSJSO-LBPRGKRZSA-N 1 0 366.255 3.893 20 10 FHCDRO Nc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312120459 942630555 /nfs/dbraw/zinc/63/05/55/942630555.db2.gz UURXXLIVVJYILU-SFHVURJKSA-N 1 0 352.482 3.693 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c(O)c1OC ZINC000893222826 942707158 /nfs/dbraw/zinc/70/71/58/942707158.db2.gz VXCDATRUMDWECR-MAUKXSAKSA-N 1 0 357.450 3.667 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC000182372354 942726642 /nfs/dbraw/zinc/72/66/42/942726642.db2.gz RZWLZZFPNIKFGK-LLVKDONJSA-N 1 0 356.344 3.588 20 10 FHCDRO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Br)ccc1O ZINC000363870595 942908489 /nfs/dbraw/zinc/90/84/89/942908489.db2.gz YAHJRJXPLZGUAA-LBPRGKRZSA-N 1 0 373.254 3.586 20 10 FHCDRO COc1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)ccc1OCCO ZINC000273303828 942927642 /nfs/dbraw/zinc/92/76/42/942927642.db2.gz CESFRDLZWBSFMM-OAHLLOKOSA-N 1 0 371.477 3.502 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(Br)cc1O ZINC000273388043 942946492 /nfs/dbraw/zinc/94/64/92/942946492.db2.gz KBWXXCYPTQQSOM-HZMBPMFUSA-N 1 0 350.260 3.616 20 10 FHCDRO C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cc2c(cc1O)CCCC2 ZINC000273411686 942950471 /nfs/dbraw/zinc/95/04/71/942950471.db2.gz PTKYJMLZHXBOPZ-INIZCTEOSA-N 1 0 362.477 3.762 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(O)c1C ZINC000273460560 942961817 /nfs/dbraw/zinc/96/18/17/942961817.db2.gz ICHPSUPAGKFCCF-QGZVFWFLSA-N 1 0 352.478 3.982 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273497323 942971467 /nfs/dbraw/zinc/97/14/67/942971467.db2.gz PLGURRBSOVXBHP-BZNIZROVSA-N 1 0 366.255 3.548 20 10 FHCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc2ccccc2c1O ZINC000273525952 942977554 /nfs/dbraw/zinc/97/75/54/942977554.db2.gz VEQUKUIINIHAPH-RRMPHLOHSA-N 1 0 351.446 3.681 20 10 FHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000378649357 943004797 /nfs/dbraw/zinc/00/47/97/943004797.db2.gz MUBKMCNEGVDPLM-LJQANCHMSA-N 1 0 369.852 3.861 20 10 FHCDRO COCCn1ncc2c1[C@H]([NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363908870 943029234 /nfs/dbraw/zinc/02/92/34/943029234.db2.gz MTWMQCYUOQWJME-MGPUTAFESA-N 1 0 369.509 3.842 20 10 FHCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000271740762 943043116 /nfs/dbraw/zinc/04/31/16/943043116.db2.gz CFRMRWWFKZKGKV-CABCVRRESA-N 1 0 373.428 3.982 20 10 FHCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1O ZINC000271858548 943061863 /nfs/dbraw/zinc/06/18/63/943061863.db2.gz JUJHDGLKFYBJPO-UHFFFAOYSA-N 1 0 362.857 3.597 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c(O)c1 ZINC000185166487 943115732 /nfs/dbraw/zinc/11/57/32/943115732.db2.gz WUIOWPHWFSZMBR-JXFKEZNVSA-N 1 0 358.457 3.564 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)[C@@H]2C)C1 ZINC000435805327 943782104 /nfs/dbraw/zinc/78/21/04/943782104.db2.gz AHVUQEPKNODIAU-IRXDYDNUSA-N 1 0 353.510 3.665 20 10 FHCDRO COC(=O)COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000783405255 943796695 /nfs/dbraw/zinc/79/66/95/943796695.db2.gz FVUPTJCBWNOZCW-UHFFFAOYSA-N 1 0 370.493 3.715 20 10 FHCDRO CSCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435864891 943819951 /nfs/dbraw/zinc/81/99/51/943819951.db2.gz LSERKPVDFYDFEN-UHFFFAOYSA-N 1 0 373.566 3.667 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C3CC3)C2)C1 ZINC000436029741 943950317 /nfs/dbraw/zinc/95/03/17/943950317.db2.gz GPERYSOELCCUPI-GOSISDBHSA-N 1 0 365.521 3.666 20 10 FHCDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000123188727 944289217 /nfs/dbraw/zinc/28/92/17/944289217.db2.gz LWZRQIQYDQWBOV-UHFFFAOYSA-N 1 0 372.896 3.882 20 10 FHCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000364420835 944660750 /nfs/dbraw/zinc/66/07/50/944660750.db2.gz WUECVTUMHNHGTN-SFHVURJKSA-N 1 0 353.466 3.897 20 10 FHCDRO OCC1CCN(c2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280997320 945483638 /nfs/dbraw/zinc/48/36/38/945483638.db2.gz XJNFERVHIWMIEV-HSZRJFAPSA-N 1 0 365.521 3.921 20 10 FHCDRO OCC1CCN(c2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280997321 945483980 /nfs/dbraw/zinc/48/39/80/945483980.db2.gz XJNFERVHIWMIEV-QHCPKHFHSA-N 1 0 365.521 3.921 20 10 FHCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000281449914 945636690 /nfs/dbraw/zinc/63/66/90/945636690.db2.gz STAPJPXQCVEFDO-IYBDPMFKSA-N 1 0 374.504 3.815 20 10 FHCDRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000840886952 946555367 /nfs/dbraw/zinc/55/53/67/946555367.db2.gz OXORNSIKRMUQMI-UHFFFAOYSA-N 1 0 364.468 3.992 20 10 FHCDRO OCC1([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc2)CCOCC1 ZINC000894919692 946605118 /nfs/dbraw/zinc/60/51/18/946605118.db2.gz KLRLBYMYEWPUDL-QFIPXVFZSA-N 1 0 367.489 3.632 20 10 FHCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1 ZINC000897268163 947081569 /nfs/dbraw/zinc/08/15/69/947081569.db2.gz VELMSDSSZFBORO-HXUWFJFHSA-N 1 0 369.461 3.642 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897330378 947228794 /nfs/dbraw/zinc/22/87/94/947228794.db2.gz TXIFYKGPGSQNBV-HNNXBMFYSA-N 1 0 355.356 3.551 20 10 FHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000181890318 947975302 /nfs/dbraw/zinc/97/53/02/947975302.db2.gz OJFGHFALAYINJP-GFCCVEGCSA-N 1 0 370.840 3.680 20 10 FHCDRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000167001986 948376035 /nfs/dbraw/zinc/37/60/35/948376035.db2.gz SKFCSRVBCMAYLF-AWEZNQCLSA-N 1 0 361.461 3.626 20 10 FHCDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000168268721 948573044 /nfs/dbraw/zinc/57/30/44/948573044.db2.gz PZIWMXQWWXUXKA-KRWDZBQOSA-N 1 0 363.521 3.577 20 10 FHCDRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000121997322 936311734 /nfs/dbraw/zinc/31/17/34/936311734.db2.gz CXPYKKHIFFYZOX-AWEZNQCLSA-N 1 0 359.857 3.600 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCCO1 ZINC000160170205 927072703 /nfs/dbraw/zinc/07/27/03/927072703.db2.gz DJXQICPGYVKWCV-OAQYLSRUSA-N 1 0 363.461 3.759 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000160172363 927092984 /nfs/dbraw/zinc/09/29/84/927092984.db2.gz SNTSVMQHWJVCCN-HNNXBMFYSA-N 1 0 366.383 3.987 20 10 FHCDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000160178635 927105465 /nfs/dbraw/zinc/10/54/65/927105465.db2.gz DZSMDJOGUFOXMS-GOSISDBHSA-N 1 0 356.422 3.790 20 10 FHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1O ZINC000175740722 928033448 /nfs/dbraw/zinc/03/34/48/928033448.db2.gz PIKKNEMUEVLULW-QGZVFWFLSA-N 1 0 357.425 3.773 20 10 FHCDRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000154700475 929213345 /nfs/dbraw/zinc/21/33/45/929213345.db2.gz SNAREYVNVWJBCR-OFVILXPXSA-N 1 0 356.535 3.886 20 10 FHCDRO Cc1cc(N(Cc2ccccc2)C2(C[NH3+])COC2)ccc1OC(F)(F)F ZINC001167374518 930438427 /nfs/dbraw/zinc/43/84/27/930438427.db2.gz JAHGKVHACABHHW-UHFFFAOYSA-N 1 0 366.383 3.628 20 10 FHCDRO CN(C)c1ccc([C@H](CNC(=O)c2cscc2C(F)F)[NH+](C)C)cc1 ZINC000891243359 930500807 /nfs/dbraw/zinc/50/08/07/930500807.db2.gz NEJQEBJSBHMNIG-INIZCTEOSA-N 1 0 367.465 3.784 20 10 FHCDRO CSCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269415 930861137 /nfs/dbraw/zinc/86/11/37/930861137.db2.gz UJCFUTQOMXGAHL-MRXNPFEDSA-N 1 0 370.946 3.660 20 10 FHCDRO Cc1c(Cl)nc(C2CC2)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431065 931030546 /nfs/dbraw/zinc/03/05/46/931030546.db2.gz FHIYMJUOCQOWHX-UHFFFAOYSA-N 1 0 371.916 3.680 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(C4CC4)nc(C4CC4)n3)cc2)CC1 ZINC001167430984 931031032 /nfs/dbraw/zinc/03/10/32/931031032.db2.gz AHAFAOHZHNCCTN-UHFFFAOYSA-N 1 0 363.509 3.595 20 10 FHCDRO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1cc(Br)ccc1O ZINC000092325692 932007408 /nfs/dbraw/zinc/00/74/08/932007408.db2.gz POCRFYRQLNGOHH-OAHLLOKOSA-N 1 0 352.276 3.746 20 10 FHCDRO Cc1cc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)ccc1Cl ZINC000588409961 932007589 /nfs/dbraw/zinc/00/75/89/932007589.db2.gz PGKDWWMTHUIFEQ-XNTDXEJSSA-N 1 0 366.939 3.944 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)CC2)cc1 ZINC000157416199 932514340 /nfs/dbraw/zinc/51/43/40/932514340.db2.gz XZQFDJOSZSPBOA-YHAMSUFESA-N 1 0 372.534 3.752 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1 ZINC000156470053 933009217 /nfs/dbraw/zinc/00/92/17/933009217.db2.gz KUQRRIUASZNYJT-CQSZACIVSA-N 1 0 365.399 3.788 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cc4ccccc4o3)SC2=S)CC1 ZINC000255473735 935126494 /nfs/dbraw/zinc/12/64/94/935126494.db2.gz CMQGFFAHQNFHNK-LFIBNONCSA-N 1 0 358.488 3.728 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)cc1 ZINC000157703381 935156188 /nfs/dbraw/zinc/15/61/88/935156188.db2.gz FMCLSUAYKWKAGJ-QZTJIDSGSA-N 1 0 368.525 3.614 20 10 FHCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000053774027 945085361 /nfs/dbraw/zinc/08/53/61/945085361.db2.gz MVZKJXQQTRONLQ-MRXNPFEDSA-N 1 0 355.438 3.877 20 10 FHCDRO CC[C@H]([NH2+]CCCCn1ccnc1)c1cc(Br)ccc1O ZINC000045094653 935606633 /nfs/dbraw/zinc/60/66/33/935606633.db2.gz RYPDXBVTTUWUNZ-HNNXBMFYSA-N 1 0 352.276 3.872 20 10 FHCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000152532853 935723764 /nfs/dbraw/zinc/72/37/64/935723764.db2.gz QRYXDGRIIWPWIF-IBGZPJMESA-N 1 0 365.521 3.780 20 10 FHCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000152532942 935724678 /nfs/dbraw/zinc/72/46/78/935724678.db2.gz QRYXDGRIIWPWIF-LJQANCHMSA-N 1 0 365.521 3.780 20 10 FHCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)C[C@H]1C ZINC000472228385 935771712 /nfs/dbraw/zinc/77/17/12/935771712.db2.gz DNLJGFHUGPTNKI-NVXWUHKLSA-N 1 0 356.514 3.501 20 10 FHCDRO c1ncn(Cc2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)n1 ZINC000075756492 936018840 /nfs/dbraw/zinc/01/88/40/936018840.db2.gz BKCFRMKSJNJKIG-UHFFFAOYSA-N 1 0 361.493 3.607 20 10 FHCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccn1 ZINC000158774452 938261627 /nfs/dbraw/zinc/26/16/27/938261627.db2.gz TXUZSZADVSOQSB-NRFANRHFSA-N 1 0 353.510 3.921 20 10 FHCDRO CC1(C)Cc2cccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c2O1 ZINC000161763331 938301961 /nfs/dbraw/zinc/30/19/61/938301961.db2.gz ZRLNQRQRYCAMMU-UHFFFAOYSA-N 1 0 352.478 3.527 20 10 FHCDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(C)cc(OC)c3O)ccc2NC1=O ZINC000894394543 945205172 /nfs/dbraw/zinc/20/51/72/945205172.db2.gz WURUDUDUJCEEEB-DYVFJYSZSA-N 1 0 370.449 3.670 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(Cl)c(F)c3)SC2=S)CC1 ZINC000255658171 939038531 /nfs/dbraw/zinc/03/85/31/939038531.db2.gz QOTSEIRSZQLOKU-NTEUORMPSA-N 1 0 370.902 3.775 20 10 FHCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000310053140 939113865 /nfs/dbraw/zinc/11/38/65/939113865.db2.gz UKIYZVCPEYRXSF-WFASDCNBSA-N 1 0 354.878 3.923 20 10 FHCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)cc1 ZINC000728602796 939126673 /nfs/dbraw/zinc/12/66/73/939126673.db2.gz OIQLVJBOWJQMMF-OAQYLSRUSA-N 1 0 353.510 3.842 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)F)c(O)c1OC ZINC000892500402 940098302 /nfs/dbraw/zinc/09/83/02/940098302.db2.gz SWGDRSPFLCKNMC-LLVKDONJSA-N 1 0 353.365 3.862 20 10 FHCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000066203298 940334833 /nfs/dbraw/zinc/33/48/33/940334833.db2.gz JHSTYFRRELZPHG-SFHVURJKSA-N 1 0 360.546 3.549 20 10 FHCDRO C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000376133371 940352813 /nfs/dbraw/zinc/35/28/13/940352813.db2.gz TWMGZOXMVFWDGW-SFHVURJKSA-N 1 0 351.494 3.691 20 10 FHCDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975528 940496497 /nfs/dbraw/zinc/49/64/97/940496497.db2.gz KCKTWFFSJQHAJQ-SFHVURJKSA-N 1 0 351.494 3.818 20 10 FHCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178070483 940627602 /nfs/dbraw/zinc/62/76/02/940627602.db2.gz RSPYLEXZSRKEEH-ZFWWWQNUSA-N 1 0 364.440 3.650 20 10 FHCDRO COC1CCN(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000163639500 941092191 /nfs/dbraw/zinc/09/21/91/941092191.db2.gz VXOCWYUOZZVXGR-KRWDZBQOSA-N 1 0 363.521 3.577 20 10 FHCDRO C[NH+](C)CCc1ccccc1NC(=O)NCCCSc1nccs1 ZINC000782902201 941231755 /nfs/dbraw/zinc/23/17/55/941231755.db2.gz HQXUKLNIERDOFD-UHFFFAOYSA-N 1 0 364.540 3.551 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000377641808 941865059 /nfs/dbraw/zinc/86/50/59/941865059.db2.gz DRYTZXOTGAWBAD-FZKQIMNGSA-N 1 0 358.438 3.528 20 10 FHCDRO COc1ccc(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c(O)c1OC ZINC000893079731 941995942 /nfs/dbraw/zinc/99/59/42/941995942.db2.gz ZZPVDIMEDXDCNG-MRXNPFEDSA-N 1 0 351.830 3.540 20 10 FHCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1N(C)C ZINC000271433810 942268744 /nfs/dbraw/zinc/26/87/44/942268744.db2.gz CHJHGFPTHKCYJI-MRXNPFEDSA-N 1 0 353.466 3.868 20 10 FHCDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Br)cc(Cl)c1[O-] ZINC000756383076 942464163 /nfs/dbraw/zinc/46/41/63/942464163.db2.gz VOQQODMJIMCJQO-UFBFGSQYSA-N 1 0 360.635 3.785 20 10 FHCDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181194611 942500220 /nfs/dbraw/zinc/50/02/20/942500220.db2.gz RUMNLRNMCVQDMA-CSKARUKUSA-N 1 0 374.506 3.543 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000181262045 942512446 /nfs/dbraw/zinc/51/24/46/942512446.db2.gz LPRQAIDDJMSKNF-KBXCAEBGSA-N 1 0 350.478 3.659 20 10 FHCDRO CCOc1ccc(O)c(C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000378346661 942625431 /nfs/dbraw/zinc/62/54/31/942625431.db2.gz ALXXODXWQVYSKO-OAQYLSRUSA-N 1 0 366.461 3.739 20 10 FHCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4scnc4c3)c2)CC1 ZINC001269788148 942688195 /nfs/dbraw/zinc/68/81/95/942688195.db2.gz XZVMKUOQHPLOGM-UHFFFAOYSA-N 1 0 366.490 3.691 20 10 FHCDRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc(F)ccc3O)CC2)cs1 ZINC000363868876 942901097 /nfs/dbraw/zinc/90/10/97/942901097.db2.gz SKUPWKFVHJWWIJ-ZDUSSCGKSA-N 1 0 363.502 3.859 20 10 FHCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273349453 942937268 /nfs/dbraw/zinc/93/72/68/942937268.db2.gz BKCARQDCSNBTRM-UVBJJODRSA-N 1 0 373.324 3.727 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cc2c(cc1O)CCCC2 ZINC000273411693 942950270 /nfs/dbraw/zinc/95/02/70/942950270.db2.gz PTKYJMLZHXBOPZ-MRXNPFEDSA-N 1 0 362.477 3.762 20 10 FHCDRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc2c(cc1O)CCCC2 ZINC000273409693 942950503 /nfs/dbraw/zinc/95/05/03/942950503.db2.gz PKCCYMBAAYUSFI-HNNXBMFYSA-N 1 0 352.478 3.824 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c(O)c1C ZINC000273417945 942952435 /nfs/dbraw/zinc/95/24/35/942952435.db2.gz RGFMSNKNDBOGRP-GOSISDBHSA-N 1 0 354.494 3.692 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1C ZINC000273489303 942968656 /nfs/dbraw/zinc/96/86/56/942968656.db2.gz NWEUOTZZLRYLBS-MJGOQNOKSA-N 1 0 352.478 3.708 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185053903 943088470 /nfs/dbraw/zinc/08/84/70/943088470.db2.gz OACRPQLYZATDRK-QGZVFWFLSA-N 1 0 365.521 3.981 20 10 FHCDRO COCC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000272514638 943169627 /nfs/dbraw/zinc/16/96/27/943169627.db2.gz GXVMFPWURAOPTR-QAPCUYQASA-N 1 0 362.445 3.684 20 10 FHCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2)c1 ZINC000185641648 943199979 /nfs/dbraw/zinc/19/99/79/943199979.db2.gz XTWYMBSLZYTTAO-CVEARBPZSA-N 1 0 356.466 3.647 20 10 FHCDRO COc1cc(C)cc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000894280332 943464756 /nfs/dbraw/zinc/46/47/56/943464756.db2.gz IDCDEDVFQSYUFJ-UHFFFAOYSA-N 1 0 364.486 3.635 20 10 FHCDRO CCc1cccc(C[NH2+][C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1O ZINC000711387570 943516839 /nfs/dbraw/zinc/51/68/39/943516839.db2.gz VKGIYUJHPLADNQ-UWJYYQICSA-N 1 0 360.498 3.834 20 10 FHCDRO CC[C@H](CSC)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436022571 943943534 /nfs/dbraw/zinc/94/35/34/943943534.db2.gz SLDBINSTBHUZHX-MRXNPFEDSA-N 1 0 373.566 3.666 20 10 FHCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001167745794 943980219 /nfs/dbraw/zinc/98/02/19/943980219.db2.gz IMWNPXNZIJWHSU-NRFANRHFSA-N 1 0 366.509 3.929 20 10 FHCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@@H]3CCCc4c3cnn4C)c2c1 ZINC000162673014 944477131 /nfs/dbraw/zinc/47/71/31/944477131.db2.gz DTZXMMVDDKHWIO-LJQANCHMSA-N 1 0 351.450 3.797 20 10 FHCDRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000759835239 944499864 /nfs/dbraw/zinc/49/98/64/944499864.db2.gz CEKQXHIVMQSVNL-LLVKDONJSA-N 1 0 364.239 3.604 20 10 FHCDRO O=C1CCCN1C1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000729468113 944500539 /nfs/dbraw/zinc/50/05/39/944500539.db2.gz NBNFRWGKIVVFSH-UHFFFAOYSA-N 1 0 364.445 3.878 20 10 FHCDRO CCOc1cccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1O ZINC000194951523 944771847 /nfs/dbraw/zinc/77/18/47/944771847.db2.gz MVBMAPOZLBZCCY-UHFFFAOYSA-N 1 0 361.869 3.928 20 10 FHCDRO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001271242043 945573344 /nfs/dbraw/zinc/57/33/44/945573344.db2.gz OBFPLKVAFHENQT-NJAFHUGGSA-N 1 0 360.498 3.603 20 10 FHCDRO c1cncc([C@H]2CCC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000800223719 945804843 /nfs/dbraw/zinc/80/48/43/945804843.db2.gz CHDKSZHYZMUFNE-PZJWPPBQSA-N 1 0 351.494 3.734 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)c1 ZINC000894501573 945841376 /nfs/dbraw/zinc/84/13/76/945841376.db2.gz ANEFZFGMLJKZSV-LLVKDONJSA-N 1 0 369.387 3.731 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)C[C@@H]2C)C1 ZINC000444258418 946141380 /nfs/dbraw/zinc/14/13/80/946141380.db2.gz HCOYYNGKNPTUBJ-IRXDYDNUSA-N 1 0 353.510 3.665 20 10 FHCDRO CC(C)(C)OC(=O)N(CCC[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000310082379 946240720 /nfs/dbraw/zinc/24/07/20/946240720.db2.gz ZNDIYSYDGNKJMN-UHFFFAOYSA-N 1 0 354.878 3.925 20 10 FHCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)c(Cl)c1 ZINC000840882902 946434081 /nfs/dbraw/zinc/43/40/81/946434081.db2.gz BWEPPOGSTUFZIA-MRXNPFEDSA-N 1 0 374.912 3.865 20 10 FHCDRO COc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc(OC)c1OC ZINC000475197291 946704131 /nfs/dbraw/zinc/70/41/31/946704131.db2.gz MDCDEJOMHHQHJK-UHFFFAOYSA-N 1 0 354.450 3.802 20 10 FHCDRO C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCC1 ZINC000756788883 947053139 /nfs/dbraw/zinc/05/31/39/947053139.db2.gz FWBSVTQETVJPJW-STQMWFEESA-N 1 0 356.304 3.994 20 10 FHCDRO COc1cc(Br)cc(C[NH2+]C[C@H](C)CC(F)(F)F)c1O ZINC000840964880 947082660 /nfs/dbraw/zinc/08/26/60/947082660.db2.gz WXBIYXRZKLZOPG-MRVPVSSYSA-N 1 0 356.182 3.841 20 10 FHCDRO CC(C)(C)c1cc(C[NH2+]CC(=O)NCc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000236778231 947675701 /nfs/dbraw/zinc/67/57/01/947675701.db2.gz GFIBRBUEYHJKGP-UHFFFAOYSA-N 1 0 372.509 3.986 20 10 FHCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CC2(CCCC2)c2c1cccc2F ZINC000662555935 947901298 /nfs/dbraw/zinc/90/12/98/947901298.db2.gz YETJNPHBGDEQSI-UHFFFAOYSA-N 1 0 350.437 3.944 20 10 FHCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000178509133 948027145 /nfs/dbraw/zinc/02/71/45/948027145.db2.gz XGWFXLDZPBOAJA-OAQYLSRUSA-N 1 0 368.477 3.535 20 10 FHCDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000760038538 948120325 /nfs/dbraw/zinc/12/03/25/948120325.db2.gz CEXFPYXERNGVDR-KMCYFTPSSA-N 1 0 359.416 3.975 20 10 FHCDRO COc1ccc(N2CCC([NH2+]CCCCNc3ccccn3)CC2)cc1 ZINC000162872664 948815301 /nfs/dbraw/zinc/81/53/01/948815301.db2.gz OOANWENDPKGAGB-UHFFFAOYSA-N 1 0 354.498 3.541 20 10 FHCDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000121590014 936333956 /nfs/dbraw/zinc/33/39/56/936333956.db2.gz SLROYQGSOMVQDS-IRXDYDNUSA-N 1 0 367.493 3.893 20 10 FHCDRO CC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(N(C)C)cc1 ZINC000162248808 936366957 /nfs/dbraw/zinc/36/69/57/936366957.db2.gz LKASMPFCIZYAQS-JOCHJYFZSA-N 1 0 352.526 3.853 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCCO1 ZINC000160189385 927163064 /nfs/dbraw/zinc/16/30/64/927163064.db2.gz TXNUKLLDZMKEPX-HNNXBMFYSA-N 1 0 351.368 3.991 20 10 FHCDRO CCC[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(C)C ZINC001266259014 927205001 /nfs/dbraw/zinc/20/50/01/927205001.db2.gz NUUIWEHSFSIHBD-JOCHJYFZSA-N 1 0 371.569 3.907 20 10 FHCDRO Cc1cc(O)c(C[N@@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)cc1C ZINC000728199326 928068215 /nfs/dbraw/zinc/06/82/15/928068215.db2.gz SSGLLUGTCJLITQ-FQEVSTJZSA-N 1 0 368.521 3.732 20 10 FHCDRO C[C@H]([NH2+]C1CCN(C(=O)C2CCCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000154588976 937235692 /nfs/dbraw/zinc/23/56/92/937235692.db2.gz WIFJFWMATWLLTF-KRWDZBQOSA-N 1 0 357.542 3.975 20 10 FHCDRO O=C(/C=C\c1ccc(Cl)nc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000254956643 928489964 /nfs/dbraw/zinc/48/99/64/928489964.db2.gz ZIENXNNFLBLUCX-SECOEOQKSA-N 1 0 353.853 3.759 20 10 FHCDRO CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1cc(Br)ccc1O ZINC000274910511 929010593 /nfs/dbraw/zinc/01/05/93/929010593.db2.gz MZPBWLUQHITOAX-XUJLQICISA-N 1 0 369.303 3.643 20 10 FHCDRO CC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cc(Br)ccc1O ZINC000274913346 929024586 /nfs/dbraw/zinc/02/45/86/929024586.db2.gz NPUQFVHWCGJLNY-HGMXIMQMSA-N 1 0 369.303 3.500 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)cn1 ZINC000274964561 929087588 /nfs/dbraw/zinc/08/75/88/929087588.db2.gz XDOVVKUOPWYGNZ-HNNXBMFYSA-N 1 0 359.901 3.795 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000471233285 929383380 /nfs/dbraw/zinc/38/33/80/929383380.db2.gz CVSRFZWDBDYAGE-OAQYLSRUSA-N 1 0 361.489 3.768 20 10 FHCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177662863 929987461 /nfs/dbraw/zinc/98/74/61/929987461.db2.gz YDWSXDJABNXYCF-IBGZPJMESA-N 1 0 355.526 3.558 20 10 FHCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046751638 930330514 /nfs/dbraw/zinc/33/05/14/930330514.db2.gz PKGHFQCQOHAKDV-SFHVURJKSA-N 1 0 360.546 3.549 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cc1 ZINC000160437559 930388808 /nfs/dbraw/zinc/38/88/08/930388808.db2.gz IFDDGDUPHZLRHS-LJQANCHMSA-N 1 0 367.537 3.826 20 10 FHCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1Cn1cccn1 ZINC000160554397 930880040 /nfs/dbraw/zinc/88/00/40/930880040.db2.gz HIVQJEQFKHDWHG-QGZVFWFLSA-N 1 0 364.493 3.857 20 10 FHCDRO CC[C@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1O ZINC000155792860 930888820 /nfs/dbraw/zinc/88/88/20/930888820.db2.gz AJCAQTQVYMBTKI-IBGZPJMESA-N 1 0 357.498 3.950 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3csc4c3ncnc4Cl)cc2)CC1 ZINC001167426211 930949137 /nfs/dbraw/zinc/94/91/37/930949137.db2.gz BTNJORXTQLJAEU-UHFFFAOYSA-N 1 0 373.913 3.709 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3cc(-c4ccccc4)cnn3)cc2)CC1 ZINC001167427126 930951093 /nfs/dbraw/zinc/95/10/93/930951093.db2.gz YYJAHVDEHKSCAX-UHFFFAOYSA-N 1 0 359.477 3.508 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-c4cccnc4)nc3)cc2)CC1 ZINC001167434925 931160480 /nfs/dbraw/zinc/16/04/80/931160480.db2.gz ZPXJWIYFTKXGIL-UHFFFAOYSA-N 1 0 359.477 3.508 20 10 FHCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)s1 ZINC000050924221 931856348 /nfs/dbraw/zinc/85/63/48/931856348.db2.gz NKFOVBZLBPLVKC-UHFFFAOYSA-N 1 0 370.518 3.645 20 10 FHCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)N(C)Cc3ccccc3)CC2)cc1 ZINC000160868509 931887249 /nfs/dbraw/zinc/88/72/49/931887249.db2.gz JGNPQWWUMVXGLE-IBGZPJMESA-N 1 0 367.537 3.774 20 10 FHCDRO CCCN(C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C1CC[NH2+]CC1 ZINC000236844011 934801946 /nfs/dbraw/zinc/80/19/46/934801946.db2.gz KPHCZSFAMCIJOR-UHFFFAOYSA-N 1 0 369.509 3.707 20 10 FHCDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(OC)c(OC)c1O)CCC2 ZINC000892141392 935108088 /nfs/dbraw/zinc/10/80/88/935108088.db2.gz SQYKMSIKSLMAAH-AWEZNQCLSA-N 1 0 362.495 3.938 20 10 FHCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119939984 936168302 /nfs/dbraw/zinc/16/83/02/936168302.db2.gz VXNBZNIFIVWLPK-INIZCTEOSA-N 1 0 357.473 3.579 20 10 FHCDRO Cc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cn1 ZINC000582883333 936256150 /nfs/dbraw/zinc/25/61/50/936256150.db2.gz AMLOLHSZOORLKS-UHFFFAOYSA-N 1 0 362.477 3.750 20 10 FHCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCOCC1 ZINC000157761853 938430276 /nfs/dbraw/zinc/43/02/76/938430276.db2.gz IIQQEBXXSLKZIW-CQSZACIVSA-N 1 0 354.441 3.662 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000278446382 938437830 /nfs/dbraw/zinc/43/78/30/938437830.db2.gz KZQCYBGGBUFGAD-MRXNPFEDSA-N 1 0 369.484 3.787 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1cc(F)ccc1F ZINC000278474220 938462152 /nfs/dbraw/zinc/46/21/52/938462152.db2.gz IBMNVXDSDHJTPN-AWEZNQCLSA-N 1 0 352.337 3.828 20 10 FHCDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000162114188 938658893 /nfs/dbraw/zinc/65/88/93/938658893.db2.gz FNJQCGOMOFABGA-MRXNPFEDSA-N 1 0 355.438 3.624 20 10 FHCDRO O=C(CC1CCCC1)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000124259611 945206519 /nfs/dbraw/zinc/20/65/19/945206519.db2.gz OQQDPMHQPXJSHG-UHFFFAOYSA-N 1 0 350.890 3.707 20 10 FHCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000729475133 945271031 /nfs/dbraw/zinc/27/10/31/945271031.db2.gz QOLYRZUTPLZAJB-HSZRJFAPSA-N 1 0 365.521 3.842 20 10 FHCDRO COc1ccccc1C[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000179588580 939889276 /nfs/dbraw/zinc/88/92/76/939889276.db2.gz FZJNNQQQJLNPTA-UHFFFAOYSA-N 1 0 366.255 3.804 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(O)c1OC ZINC000892506178 940171450 /nfs/dbraw/zinc/17/14/50/940171450.db2.gz WKXYFNWQIZVZTI-ZDUSSCGKSA-N 1 0 370.449 3.609 20 10 FHCDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1O ZINC000376075075 940275428 /nfs/dbraw/zinc/27/54/28/940275428.db2.gz STXGNOWQQZZILQ-MRXNPFEDSA-N 1 0 361.873 3.719 20 10 FHCDRO CC[C@H]([NH2+]CCc1nnc(C)s1)c1cc(Br)ccc1O ZINC000289840079 940497750 /nfs/dbraw/zinc/49/77/50/940497750.db2.gz PVSUABYJKCXFTP-LBPRGKRZSA-N 1 0 356.289 3.598 20 10 FHCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000160376700 940822458 /nfs/dbraw/zinc/82/24/58/940822458.db2.gz DPUUGLUUNOMOTH-UHFFFAOYSA-N 1 0 370.493 3.563 20 10 FHCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N2CCCCC2)cc1 ZINC000178195388 940823638 /nfs/dbraw/zinc/82/36/38/940823638.db2.gz AIWRGFOUIRPXKA-UYAOXDASSA-N 1 0 365.525 3.787 20 10 FHCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892620755 940998122 /nfs/dbraw/zinc/99/81/22/940998122.db2.gz CLNRAATVKXEPCO-KBPBESRZSA-N 1 0 361.461 3.588 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccccc2OCC(F)(F)F)c(O)c1OC ZINC000892653756 941083876 /nfs/dbraw/zinc/08/38/76/941083876.db2.gz MNWRDWMDHIHNNW-UHFFFAOYSA-N 1 0 371.355 3.640 20 10 FHCDRO C[C@@H]([NH2+]CCCNc1ncccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000163912384 941102701 /nfs/dbraw/zinc/10/27/01/941102701.db2.gz SXWZWBDWDDKOPE-MRXNPFEDSA-N 1 0 357.477 3.759 20 10 FHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000782841818 941107407 /nfs/dbraw/zinc/10/74/07/941107407.db2.gz GXHBWOYJPCMVEG-OAHLLOKOSA-N 1 0 353.397 3.518 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000376893845 941461037 /nfs/dbraw/zinc/46/10/37/941461037.db2.gz QPDMKVGWGPONLR-SCLBCKFNSA-N 1 0 368.437 3.894 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c(C(F)(F)F)c1 ZINC000892800694 941569157 /nfs/dbraw/zinc/56/91/57/941569157.db2.gz HZGZVSWDGWXDJS-UHFFFAOYSA-N 1 0 371.355 3.727 20 10 FHCDRO COc1ccc(N2CCC([NH2+]Cc3csc(C(F)(F)F)n3)CC2)cc1 ZINC000892812937 941580633 /nfs/dbraw/zinc/58/06/33/941580633.db2.gz NXPOHXWMXVUWRH-UHFFFAOYSA-N 1 0 371.428 3.929 20 10 FHCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000729286618 941707958 /nfs/dbraw/zinc/70/79/58/941707958.db2.gz DGCXBJRNYMSGQJ-SFHVURJKSA-N 1 0 353.510 3.899 20 10 FHCDRO CC[C@@H]([NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(C)cc1O ZINC000280007347 942085349 /nfs/dbraw/zinc/08/53/49/942085349.db2.gz GLCNWGOJNWIPRO-GDBMZVCRSA-N 1 0 351.454 3.991 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015673 942111025 /nfs/dbraw/zinc/11/10/25/942111025.db2.gz GGEBSKPZLKSQSZ-TZIWHRDSSA-N 1 0 368.521 3.951 20 10 FHCDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2cccc(C)c2O)cc1 ZINC000182641546 942769636 /nfs/dbraw/zinc/76/96/36/942769636.db2.gz ZWPGTGFCJKJUTE-KRWDZBQOSA-N 1 0 370.493 3.847 20 10 FHCDRO COc1ccc(C2([NH2+]Cc3cc(C)cc(OC)c3O)CCOCC2)cc1 ZINC000894263899 942844453 /nfs/dbraw/zinc/84/44/53/942844453.db2.gz APLOTIDTJOVMBA-UHFFFAOYSA-N 1 0 357.450 3.513 20 10 FHCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c(O)c1C ZINC000363851080 942845089 /nfs/dbraw/zinc/84/50/89/942845089.db2.gz HTVTYRXMKCRJJX-NVXWUHKLSA-N 1 0 370.497 3.585 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCCC2=O)c(O)c1C ZINC000273364944 942940844 /nfs/dbraw/zinc/94/08/44/942940844.db2.gz DYSDHNKISMJJPY-KRWDZBQOSA-N 1 0 352.478 3.982 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Br)ccc1O ZINC000273393069 942947178 /nfs/dbraw/zinc/94/71/78/942947178.db2.gz LEOUEBOXNIRDHI-IINYFYTJSA-N 1 0 350.260 3.616 20 10 FHCDRO C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cc(F)ccc1O ZINC000273534414 942979833 /nfs/dbraw/zinc/97/98/33/942979833.db2.gz WZLOJIWXIUEQOR-AWEZNQCLSA-N 1 0 358.461 3.630 20 10 FHCDRO Cc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c(O)c1 ZINC000273545342 942982016 /nfs/dbraw/zinc/98/20/16/942982016.db2.gz ZEJODDLRDACEKO-INIZCTEOSA-N 1 0 354.498 3.799 20 10 FHCDRO Cc1cccc(C[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1O ZINC000272036406 943085954 /nfs/dbraw/zinc/08/59/54/943085954.db2.gz XMRAEYLIVFUSJU-UHFFFAOYSA-N 1 0 370.762 3.705 20 10 FHCDRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000185293182 943142728 /nfs/dbraw/zinc/14/27/28/943142728.db2.gz LTKXJQOWGMBULL-UONOGXRCSA-N 1 0 352.450 3.829 20 10 FHCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc2ccccc2c1O ZINC000185552768 943183819 /nfs/dbraw/zinc/18/38/19/943183819.db2.gz VADBJLBXNAPDEQ-NVXWUHKLSA-N 1 0 350.466 3.599 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000185576941 943187571 /nfs/dbraw/zinc/18/75/71/943187571.db2.gz ZLXNAXMLTJMHPH-CQSZACIVSA-N 1 0 355.413 3.619 20 10 FHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC000760018330 943570779 /nfs/dbraw/zinc/57/07/79/943570779.db2.gz OBDNGTYKTIXEHU-PKOBYXMFSA-N 1 0 356.535 3.969 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H]3CCC[C@@H]3C2)C1 ZINC000435814493 943771521 /nfs/dbraw/zinc/77/15/21/943771521.db2.gz WCUKKCJRLWFBEA-QZTJIDSGSA-N 1 0 365.521 3.666 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC=CCC2)C1 ZINC000435860521 943814033 /nfs/dbraw/zinc/81/40/33/943814033.db2.gz PDYUWJRGVYVEBS-QGZVFWFLSA-N 1 0 351.494 3.633 20 10 FHCDRO CCc1cccc(C[NH2+][C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1O ZINC000711711930 943997083 /nfs/dbraw/zinc/99/70/83/943997083.db2.gz DLXCTVIDTZJTAP-DYESRHJHSA-N 1 0 360.498 3.976 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c1 ZINC000760020321 944021557 /nfs/dbraw/zinc/02/15/57/944021557.db2.gz VCNRUPZTOIELIG-AEFFLSMTSA-N 1 0 372.534 3.669 20 10 FHCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1O ZINC000894617401 944323547 /nfs/dbraw/zinc/32/35/47/944323547.db2.gz IJEKVVXCYHUWDF-NSHDSACASA-N 1 0 351.244 3.718 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000436447223 944323700 /nfs/dbraw/zinc/32/37/00/944323700.db2.gz AQZFJYPCNQDKRD-QGZVFWFLSA-N 1 0 353.510 3.666 20 10 FHCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000517674870 944482424 /nfs/dbraw/zinc/48/24/24/944482424.db2.gz CJAAPMACVVNVGB-LJQANCHMSA-N 1 0 371.525 3.509 20 10 FHCDRO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001271242045 945573655 /nfs/dbraw/zinc/57/36/55/945573655.db2.gz OBFPLKVAFHENQT-SZMVWBNQSA-N 1 0 360.498 3.603 20 10 FHCDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1cccc(Cl)c1 ZINC000894526924 945911754 /nfs/dbraw/zinc/91/17/54/945911754.db2.gz KCMVJODFUMRJDK-OAHLLOKOSA-N 1 0 351.830 3.540 20 10 FHCDRO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000896962277 946374206 /nfs/dbraw/zinc/37/42/06/946374206.db2.gz VSNNIXUWKQLRMV-UHFFFAOYSA-N 1 0 359.388 3.717 20 10 FHCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)ccc1O ZINC000756764848 946654119 /nfs/dbraw/zinc/65/41/19/946654119.db2.gz LHPCDSPBXBOBLS-OCCSQVGLSA-N 1 0 370.287 3.534 20 10 FHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c1O ZINC000310627335 946667003 /nfs/dbraw/zinc/66/70/03/946667003.db2.gz DGGIIQXBYCVCGI-KSSFIOAISA-N 1 0 360.885 3.807 20 10 FHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CC(=O)NCCc1ccccc1 ZINC000475194394 946679757 /nfs/dbraw/zinc/67/97/57/946679757.db2.gz FBFNEVGBLMIWHX-KRWDZBQOSA-N 1 0 363.505 3.714 20 10 FHCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000475199201 946710414 /nfs/dbraw/zinc/71/04/14/946710414.db2.gz STXLCFTWKJDUDZ-LBPRGKRZSA-N 1 0 361.287 3.624 20 10 FHCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1O ZINC000278983586 948364593 /nfs/dbraw/zinc/36/45/93/948364593.db2.gz PEONLVWJGJTCFR-CHWSQXEVSA-N 1 0 364.287 3.573 20 10 FHCDRO C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000067453178 948795953 /nfs/dbraw/zinc/79/59/53/948795953.db2.gz KIQQUPSKKHOMPZ-WOJBJXKFSA-N 1 0 359.558 3.656 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000821198385 599395129 /nfs/dbraw/zinc/39/51/29/599395129.db2.gz SXRPGBAOQYMEJL-AWEZNQCLSA-N 1 0 368.460 3.703 20 10 FHCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429250 608550074 /nfs/dbraw/zinc/55/00/74/608550074.db2.gz ZFQPAROGCAZPOM-OAHLLOKOSA-N 1 0 351.454 3.772 20 10 FHCDRO Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC000826511105 608695713 /nfs/dbraw/zinc/69/57/13/608695713.db2.gz BZUHWCKPPWTRJW-UHFFFAOYSA-N 1 0 355.467 3.579 20 10 FHCDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(O)cccc3Cl)CC2)nc1 ZINC000122027811 936386554 /nfs/dbraw/zinc/38/65/54/936386554.db2.gz WUTCQJQLWOGXRM-UHFFFAOYSA-N 1 0 359.857 3.600 20 10 FHCDRO Oc1ccccc1C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@H]1CCCO1 ZINC000160172484 927092273 /nfs/dbraw/zinc/09/22/73/927092273.db2.gz SNTSVMQHWJVCCN-OAHLLOKOSA-N 1 0 366.383 3.987 20 10 FHCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000274759386 928019747 /nfs/dbraw/zinc/01/97/47/928019747.db2.gz JOROYRXUVZHMMX-JKSUJKDBSA-N 1 0 360.523 3.958 20 10 FHCDRO Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1O ZINC000274849190 928865418 /nfs/dbraw/zinc/86/54/18/928865418.db2.gz AVHQUCDFLSAVBE-UHFFFAOYSA-N 1 0 360.889 3.661 20 10 FHCDRO CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cc(Br)ccc1O ZINC000274913341 929024709 /nfs/dbraw/zinc/02/47/09/929024709.db2.gz NPUQFVHWCGJLNY-ABIUDSBCSA-N 1 0 369.303 3.500 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154663747 929137065 /nfs/dbraw/zinc/13/70/65/929137065.db2.gz ZYNLAFPZZWHEDW-OAHLLOKOSA-N 1 0 355.457 3.766 20 10 FHCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000382441311 929675531 /nfs/dbraw/zinc/67/55/31/929675531.db2.gz FPYJWMBCPZLRCG-QWHCGFSZSA-N 1 0 354.878 3.829 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000471498277 930030589 /nfs/dbraw/zinc/03/05/89/930030589.db2.gz YGYZOEROZPOCEC-SFHVURJKSA-N 1 0 370.522 3.650 20 10 FHCDRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382444388 930081954 /nfs/dbraw/zinc/08/19/54/930081954.db2.gz IIFKSWMUULNYRF-ZBFHGGJFSA-N 1 0 364.486 3.574 20 10 FHCDRO O=C(Cc1ccccc1)OCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001167353015 930244944 /nfs/dbraw/zinc/24/49/44/930244944.db2.gz BQLJEZOTYZFKMD-UHFFFAOYSA-N 1 0 353.462 3.923 20 10 FHCDRO CCCCN(Cc1ccccc1O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892335882 937430516 /nfs/dbraw/zinc/43/05/16/937430516.db2.gz UNNHKKRXVLPMMH-UHFFFAOYSA-N 1 0 367.493 3.550 20 10 FHCDRO CC1(C)Cc2cccc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)c2O1 ZINC000161704638 937435682 /nfs/dbraw/zinc/43/56/82/937435682.db2.gz DEOPYKXZABJGGE-UHFFFAOYSA-N 1 0 370.468 3.666 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)nc4ccccc43)cc2)CC1 ZINC001167423188 930921504 /nfs/dbraw/zinc/92/15/04/930921504.db2.gz QDKVRCAZTHVNJE-UHFFFAOYSA-N 1 0 367.884 3.647 20 10 FHCDRO COc1ccc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ncc2c1 ZINC001167427054 930950482 /nfs/dbraw/zinc/95/04/82/930950482.db2.gz VUFWRGFNKSKBAF-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000471620766 931209692 /nfs/dbraw/zinc/20/96/92/931209692.db2.gz UEAYSIPYMVTDCW-LJQANCHMSA-N 1 0 370.522 3.650 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000471620764 931209851 /nfs/dbraw/zinc/20/98/51/931209851.db2.gz UEAYSIPYMVTDCW-IBGZPJMESA-N 1 0 370.522 3.650 20 10 FHCDRO COCCOc1ccc(N2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)cc1 ZINC001143384604 931340838 /nfs/dbraw/zinc/34/08/38/931340838.db2.gz JISKUYMFHKCOKB-UHFFFAOYSA-N 1 0 372.484 3.790 20 10 FHCDRO Cc1ccc(F)cc1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000588393859 931350304 /nfs/dbraw/zinc/35/03/04/931350304.db2.gz NRWOVIGAIQVLDM-OQLLNIDSSA-N 1 0 366.527 3.923 20 10 FHCDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(O)c1OC ZINC000891577632 932784270 /nfs/dbraw/zinc/78/42/70/932784270.db2.gz DHXKILAWUIYTAO-HNNXBMFYSA-N 1 0 368.433 3.930 20 10 FHCDRO COc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(O)c1OC ZINC000891748342 933113151 /nfs/dbraw/zinc/11/31/51/933113151.db2.gz OUYAYSRKBVUSHD-UHFFFAOYSA-N 1 0 371.477 3.633 20 10 FHCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(F)c(Cl)c3)SC2=S)CC1 ZINC000157403074 935070024 /nfs/dbraw/zinc/07/00/24/935070024.db2.gz VGOKAXRGJHNUNY-ZROIWOOFSA-N 1 0 370.902 3.775 20 10 FHCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccn1 ZINC000158687747 935697161 /nfs/dbraw/zinc/69/71/61/935697161.db2.gz GULAQKNNLNHUGQ-AWEZNQCLSA-N 1 0 365.399 3.788 20 10 FHCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472228386 935771770 /nfs/dbraw/zinc/77/17/70/935771770.db2.gz DNLJGFHUGPTNKI-RDJZCZTQSA-N 1 0 356.514 3.501 20 10 FHCDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(N2CCOCC2)c(F)c1 ZINC000130650263 938426325 /nfs/dbraw/zinc/42/63/25/938426325.db2.gz HTAHSINCUYVQPX-AUUYWEPGSA-N 1 0 356.441 3.706 20 10 FHCDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1cc(F)ccc1F ZINC000278474223 938462192 /nfs/dbraw/zinc/46/21/92/938462192.db2.gz IBMNVXDSDHJTPN-CQSZACIVSA-N 1 0 352.337 3.828 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S ZINC000255587956 938599471 /nfs/dbraw/zinc/59/94/71/938599471.db2.gz LPBGNMSPTYLBDI-NTEUORMPSA-N 1 0 352.500 3.615 20 10 FHCDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(C)cc(OC)c3O)ccc2NC1=O ZINC000894394547 945205044 /nfs/dbraw/zinc/20/50/44/945205044.db2.gz WURUDUDUJCEEEB-SUMWQHHRSA-N 1 0 370.449 3.670 20 10 FHCDRO COc1cc(Br)cc(C[N@H+](C)Cc2scnc2C)c1O ZINC000179425995 939161363 /nfs/dbraw/zinc/16/13/63/939161363.db2.gz FQLXPPFAKOFKNA-UHFFFAOYSA-N 1 0 357.273 3.560 20 10 FHCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc4nccn43)C2)cc1 ZINC000179428472 939161830 /nfs/dbraw/zinc/16/18/30/939161830.db2.gz PEVQPBAKKKQXFP-OAHLLOKOSA-N 1 0 372.419 3.694 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179475113 939172468 /nfs/dbraw/zinc/17/24/68/939172468.db2.gz NVSRKFJRVCBHJE-TZIWHRDSSA-N 1 0 367.493 3.759 20 10 FHCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000179704827 939924766 /nfs/dbraw/zinc/92/47/66/939924766.db2.gz LCPNTNVUXCSLEJ-HNNXBMFYSA-N 1 0 365.271 3.839 20 10 FHCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Br)c(F)cc1[O-] ZINC000756652956 945284325 /nfs/dbraw/zinc/28/43/25/945284325.db2.gz CYDDTMJALDJAFZ-KBNRHUEMSA-N 1 0 358.251 3.902 20 10 FHCDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000179895353 940091247 /nfs/dbraw/zinc/09/12/47/940091247.db2.gz DMWOFHNJMRAWPL-GXTWGEPZSA-N 1 0 355.356 3.502 20 10 FHCDRO O=C(NC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1)C1CCCCC1 ZINC000065943897 940091692 /nfs/dbraw/zinc/09/16/92/940091692.db2.gz OTWUGCADAYYYRH-UHFFFAOYSA-N 1 0 356.510 3.542 20 10 FHCDRO COc1ccc(C[NH2+]Cc2ccc(Br)s2)c(O)c1OC ZINC000892499994 940102705 /nfs/dbraw/zinc/10/27/05/940102705.db2.gz CYQSRUUNWZMZHW-UHFFFAOYSA-N 1 0 358.257 3.523 20 10 FHCDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(C)cc1O ZINC000376113586 940329598 /nfs/dbraw/zinc/32/95/98/940329598.db2.gz KTAPHLWMJDONJA-HFTRVMKXSA-N 1 0 357.454 3.922 20 10 FHCDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000178019729 940589843 /nfs/dbraw/zinc/58/98/43/940589843.db2.gz STPQVQNPDAPONS-SFHVURJKSA-N 1 0 351.494 3.758 20 10 FHCDRO CC[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(Br)ccc1O ZINC000180221364 940839246 /nfs/dbraw/zinc/83/92/46/940839246.db2.gz PFHSIYXVTVQGAJ-UHFFFAOYSA-N 1 0 352.276 3.954 20 10 FHCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4cc(C)ccn4)CC3)c2c1 ZINC000165875220 941163470 /nfs/dbraw/zinc/16/34/70/941163470.db2.gz ASKPSZJDVQXPBN-UHFFFAOYSA-N 1 0 363.461 3.580 20 10 FHCDRO CCOCOc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000782952598 941329193 /nfs/dbraw/zinc/32/91/93/941329193.db2.gz MUFKBNWJAGCWMH-GOSISDBHSA-N 1 0 370.493 3.747 20 10 FHCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000377693513 941907721 /nfs/dbraw/zinc/90/77/21/941907721.db2.gz GSPOGRPMQYILRO-CVEARBPZSA-N 1 0 365.437 3.911 20 10 FHCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC000893098706 942035253 /nfs/dbraw/zinc/03/52/53/942035253.db2.gz RXPFTGSUIDCVOI-QFBILLFUSA-N 1 0 370.493 3.552 20 10 FHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)cc1 ZINC000280669154 942227457 /nfs/dbraw/zinc/22/74/57/942227457.db2.gz UCHIZUFLNRNJTF-UHFFFAOYSA-N 1 0 366.552 3.678 20 10 FHCDRO c1ccc(N2CCCCC2)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000236669166 942436740 /nfs/dbraw/zinc/43/67/40/942436740.db2.gz WNJQGPPEWDJKPT-UHFFFAOYSA-N 1 0 365.521 3.803 20 10 FHCDRO C[C@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000236673291 942449328 /nfs/dbraw/zinc/44/93/28/942449328.db2.gz YIFRLAVZFULBTG-UYAOXDASSA-N 1 0 357.542 3.565 20 10 FHCDRO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386866 942527744 /nfs/dbraw/zinc/52/77/44/942527744.db2.gz OZIWRIURDZWAPE-KRWDZBQOSA-N 1 0 371.550 3.875 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000182347285 942720827 /nfs/dbraw/zinc/72/08/27/942720827.db2.gz KOZNWTBXJZVODW-AWEZNQCLSA-N 1 0 369.417 3.545 20 10 FHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CCC([NH+](C)C)CC3)ccc21 ZINC000421684556 942741363 /nfs/dbraw/zinc/74/13/63/942741363.db2.gz KMJPOTORQOJMCZ-UHFFFAOYSA-N 1 0 371.525 3.507 20 10 FHCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c1O ZINC000378465426 942795906 /nfs/dbraw/zinc/79/59/06/942795906.db2.gz GQBQCGDUWTYCSI-FQEVSTJZSA-N 1 0 357.425 3.991 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc2ccccc2c1O ZINC000273304942 942927664 /nfs/dbraw/zinc/92/76/64/942927664.db2.gz CLRDVXJQWWKSEL-MRXNPFEDSA-N 1 0 363.461 3.628 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000273306045 942928772 /nfs/dbraw/zinc/92/87/72/942928772.db2.gz CVJCCZULDSISLV-OLZOCXBDSA-N 1 0 361.438 3.838 20 10 FHCDRO Cc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c(O)c1C ZINC000273350632 942937930 /nfs/dbraw/zinc/93/79/30/942937930.db2.gz BPBDQHVQWZAGGF-UZLBHIALSA-N 1 0 367.493 3.632 20 10 FHCDRO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(Br)cc1O ZINC000273445457 942958493 /nfs/dbraw/zinc/95/84/93/942958493.db2.gz DZRJYZZNSYVVIW-ZUZCIYMTSA-N 1 0 354.219 3.678 20 10 FHCDRO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Br)ccc1O ZINC000273519245 942975824 /nfs/dbraw/zinc/97/58/24/942975824.db2.gz TXNNLYLYFARSDE-MEBBXXQBSA-N 1 0 354.219 3.678 20 10 FHCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273619856 942998400 /nfs/dbraw/zinc/99/84/00/942998400.db2.gz YRBBCAIMWZPERG-XIKOKIGWSA-N 1 0 371.868 3.535 20 10 FHCDRO C[C@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1cc(F)ccc1O ZINC000760017471 943020120 /nfs/dbraw/zinc/02/01/20/943020120.db2.gz MNBPZHWEMJKEFD-YJBOKZPZSA-N 1 0 360.498 3.800 20 10 FHCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc2ccccc2c1O ZINC000185127749 943103794 /nfs/dbraw/zinc/10/37/94/943103794.db2.gz SZZJUNWZIMJMIC-YOEHRIQHSA-N 1 0 355.409 3.775 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)c1 ZINC000185458865 943170100 /nfs/dbraw/zinc/17/01/00/943170100.db2.gz NWSLSIBIWSHFJV-SJKOYZFVSA-N 1 0 350.409 3.633 20 10 FHCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000272979032 943254279 /nfs/dbraw/zinc/25/42/79/943254279.db2.gz QECJKUKUMNRUKL-YDGUKXNOSA-N 1 0 365.882 3.836 20 10 FHCDRO Cc1cccc2nc(C3CC[NH+](Cc4cc5c(cc4O)OCO5)CC3)oc21 ZINC000188955358 943796766 /nfs/dbraw/zinc/79/67/66/943796766.db2.gz KYOUUIILHSIVQD-UHFFFAOYSA-N 1 0 366.417 3.950 20 10 FHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CC2CC2)C1 ZINC000435875111 943828358 /nfs/dbraw/zinc/82/83/58/943828358.db2.gz BHIDVQBMOLCICE-MRXNPFEDSA-N 1 0 353.510 3.713 20 10 FHCDRO CC[C@@H](CSC)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436022565 943943608 /nfs/dbraw/zinc/94/36/08/943943608.db2.gz SLDBINSTBHUZHX-INIZCTEOSA-N 1 0 373.566 3.666 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@@H](C)C2)C1 ZINC000436016624 943955937 /nfs/dbraw/zinc/95/59/37/943955937.db2.gz SFPGOONDCBUWKR-SJORKVTESA-N 1 0 353.510 3.713 20 10 FHCDRO CN(C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1)C(=O)OC(C)(C)C ZINC000729465965 944413720 /nfs/dbraw/zinc/41/37/20/944413720.db2.gz IUHUBWKJCKQIGN-HNNXBMFYSA-N 1 0 371.481 3.629 20 10 FHCDRO CC[C@@H](c1ccccc1)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759872778 944660943 /nfs/dbraw/zinc/66/09/43/944660943.db2.gz PABNPBSWDHVVBQ-IBGZPJMESA-N 1 0 370.493 3.986 20 10 FHCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000364420833 944661130 /nfs/dbraw/zinc/66/11/30/944661130.db2.gz WUECVTUMHNHGTN-GOSISDBHSA-N 1 0 353.466 3.897 20 10 FHCDRO COc1cc(N2CC[NH+](CCCC3CCCC3)CC2)cc(OC)c1OC ZINC000759876684 944667716 /nfs/dbraw/zinc/66/77/16/944667716.db2.gz BLPLNNTXXCSNFN-UHFFFAOYSA-N 1 0 362.514 3.805 20 10 FHCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000281277506 945579276 /nfs/dbraw/zinc/57/92/76/945579276.db2.gz XHIQIHNQLQUUME-SJLPKXTDSA-N 1 0 361.505 3.725 20 10 FHCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncc(Cl)cn2)C1 ZINC000301492060 945813810 /nfs/dbraw/zinc/81/38/10/945813810.db2.gz OVAUMPQSWMJMIH-CQSZACIVSA-N 1 0 353.253 3.566 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)CC(C)C)cc2F)CC1 ZINC000303332802 946554263 /nfs/dbraw/zinc/55/42/63/946554263.db2.gz UPMWZPONMZCHEJ-KRWDZBQOSA-N 1 0 363.521 3.656 20 10 FHCDRO Cc1cc(Br)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1O ZINC000897080843 946569733 /nfs/dbraw/zinc/56/97/33/946569733.db2.gz DLANWNJXRNGKJT-HNNXBMFYSA-N 1 0 352.276 3.684 20 10 FHCDRO COc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)c(OC)c1OC ZINC000475199928 946713346 /nfs/dbraw/zinc/71/33/46/946713346.db2.gz XOTGPFROHBEEDZ-UHFFFAOYSA-N 1 0 354.450 3.802 20 10 FHCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccccc1O ZINC000760032551 946886487 /nfs/dbraw/zinc/88/64/87/946886487.db2.gz GSOGUTGRJCLMIJ-ZIAGYGMSSA-N 1 0 364.283 3.657 20 10 FHCDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1O ZINC000897264559 947069193 /nfs/dbraw/zinc/06/91/93/947069193.db2.gz DOHDZGKYSSJJBY-GOSISDBHSA-N 1 0 369.461 3.560 20 10 FHCDRO CCCN(CCC)c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1 ZINC000897264948 947070354 /nfs/dbraw/zinc/07/03/54/947070354.db2.gz PVROZDSCAXKBDA-NRFANRHFSA-N 1 0 360.542 3.819 20 10 FHCDRO CCOc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c(O)c1 ZINC000897267550 947080286 /nfs/dbraw/zinc/08/02/86/947080286.db2.gz LVMKMNTXBUEFIK-FQEVSTJZSA-N 1 0 369.461 3.642 20 10 FHCDRO Fc1ccc2c(NCc3ccc(N4CCOCC4)c(F)c3)cc[nH+]c2c1 ZINC000301305166 947276084 /nfs/dbraw/zinc/27/60/84/947276084.db2.gz ZOUMARQKAMRBKK-UHFFFAOYSA-N 1 0 355.388 3.962 20 10 FHCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1OC ZINC000165950424 948080862 /nfs/dbraw/zinc/08/08/62/948080862.db2.gz CTABKSNYRMQREL-HNNXBMFYSA-N 1 0 374.456 3.530 20 10 FHCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1 ZINC000179005029 948678690 /nfs/dbraw/zinc/67/86/90/948678690.db2.gz FJSVIXROSRWPGU-SFHVURJKSA-N 1 0 353.510 3.899 20 10 FHCDRO COc1cccc(C[N@@H+](Cc2cccc(OC)c2O)C[C@H]2CCCO2)c1 ZINC000013993773 220102083 /nfs/dbraw/zinc/10/20/83/220102083.db2.gz VMUJLBGIHHJTGY-LJQANCHMSA-N 1 0 357.450 3.591 20 10 FHCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738396464 598466316 /nfs/dbraw/zinc/46/63/16/598466316.db2.gz GLEYBMZVNVTGGV-UHFFFAOYSA-N 1 0 357.417 3.529 20 10 FHCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826517351 608500903 /nfs/dbraw/zinc/50/09/03/608500903.db2.gz ZLHNKBUEJBYEAN-NRFANRHFSA-N 1 0 374.492 3.634 20 10 FHCDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160190563 927163597 /nfs/dbraw/zinc/16/35/97/927163597.db2.gz QKQDLSGVHHNOJE-MRXNPFEDSA-N 1 0 358.526 3.645 20 10 FHCDRO CCOc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC ZINC000160204443 927268072 /nfs/dbraw/zinc/26/80/72/927268072.db2.gz MPKROFLROUMFMX-IBGZPJMESA-N 1 0 371.477 3.981 20 10 FHCDRO CCOc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1OC ZINC000160204591 927268353 /nfs/dbraw/zinc/26/83/53/927268353.db2.gz MPKROFLROUMFMX-LJQANCHMSA-N 1 0 371.477 3.981 20 10 FHCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000274656012 927369613 /nfs/dbraw/zinc/36/96/13/927369613.db2.gz VVINRDJJQNHEGC-IXDOHACOSA-N 1 0 357.473 3.994 20 10 FHCDRO C[C@H](C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001208897964 928917809 /nfs/dbraw/zinc/91/78/09/928917809.db2.gz JQOFQEDUDLMPSM-LLVKDONJSA-N 1 0 356.310 3.906 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000471233284 929383972 /nfs/dbraw/zinc/38/39/72/929383972.db2.gz CVSRFZWDBDYAGE-NRFANRHFSA-N 1 0 361.489 3.768 20 10 FHCDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000160511665 930726904 /nfs/dbraw/zinc/72/69/04/930726904.db2.gz TUQISWSVWNDSLG-HNNXBMFYSA-N 1 0 359.466 3.729 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)cc4ncccc43)cc2)CC1 ZINC001167423434 930923226 /nfs/dbraw/zinc/92/32/26/930923226.db2.gz ZNKKNFIGCVSBEQ-UHFFFAOYSA-N 1 0 367.884 3.647 20 10 FHCDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431370 931046405 /nfs/dbraw/zinc/04/64/05/931046405.db2.gz VUSLOFCSLVKJBM-UHFFFAOYSA-N 1 0 368.481 3.884 20 10 FHCDRO Cc1nc(C(F)(F)F)ccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434664 931153244 /nfs/dbraw/zinc/15/32/44/931153244.db2.gz QWGPIROWROVKGS-UHFFFAOYSA-N 1 0 364.415 3.773 20 10 FHCDRO COc1cnc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2c1 ZINC001167436945 931272622 /nfs/dbraw/zinc/27/26/22/931272622.db2.gz IFQUYQZHYBCZJW-UHFFFAOYSA-N 1 0 362.477 3.607 20 10 FHCDRO Cc1cc(Cl)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC001167441911 931462176 /nfs/dbraw/zinc/46/21/76/931462176.db2.gz YKXIJXMKTQSRAT-UHFFFAOYSA-N 1 0 374.872 3.921 20 10 FHCDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000067247395 931764155 /nfs/dbraw/zinc/76/41/55/931764155.db2.gz PTRCWLVXZLYCKJ-KKSFZXQISA-N 1 0 354.494 3.902 20 10 FHCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000050901715 931809499 /nfs/dbraw/zinc/80/94/99/931809499.db2.gz LDNDJCKQNGVNOL-KRWDZBQOSA-N 1 0 370.493 3.682 20 10 FHCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157068573 931815832 /nfs/dbraw/zinc/81/58/32/931815832.db2.gz IKAPNQRGIPEGSZ-OAHLLOKOSA-N 1 0 371.437 3.848 20 10 FHCDRO CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1cc(Br)ccc1O ZINC000834884732 932185195 /nfs/dbraw/zinc/18/51/95/932185195.db2.gz CHQMERBEEKSFIL-CQSZACIVSA-N 1 0 360.267 3.962 20 10 FHCDRO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000891524023 932701390 /nfs/dbraw/zinc/70/13/90/932701390.db2.gz GKMNCHYGRBXPML-UHFFFAOYSA-N 1 0 356.514 3.549 20 10 FHCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)cc1O ZINC000134797078 934216292 /nfs/dbraw/zinc/21/62/92/934216292.db2.gz ZWKPQFADQCXKGT-CEFQPYBMSA-N 1 0 352.272 3.763 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277108381 934493118 /nfs/dbraw/zinc/49/31/18/934493118.db2.gz MHXWAIDFODMEFX-ACJLOTCBSA-N 1 0 353.422 3.727 20 10 FHCDRO COc1ccc(N2CCC([NH2+]C[C@@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152275587 935350855 /nfs/dbraw/zinc/35/08/55/935350855.db2.gz VFGVIDRUIJQKGQ-NRFANRHFSA-N 1 0 369.509 3.684 20 10 FHCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000255545985 936080164 /nfs/dbraw/zinc/08/01/64/936080164.db2.gz ZEIYCSQLQJWMOI-NTEUORMPSA-N 1 0 352.500 3.615 20 10 FHCDRO CCOc1cccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1O ZINC000161734883 938273198 /nfs/dbraw/zinc/27/31/98/938273198.db2.gz BRRCQPHTVQGIQU-UHFFFAOYSA-N 1 0 360.429 3.779 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000157769213 938427565 /nfs/dbraw/zinc/42/75/65/938427565.db2.gz RPGAVGFOHRVVOR-YADHBBJMSA-N 1 0 352.478 3.784 20 10 FHCDRO COc1cc(O)c(C[N@H+](C)Cc2ccccc2OC(F)(F)F)cc1OC ZINC000158846073 938895250 /nfs/dbraw/zinc/89/52/50/938895250.db2.gz AVUKFEMEFVMMQC-UHFFFAOYSA-N 1 0 371.355 3.940 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(O)c1OC ZINC000892452803 939192291 /nfs/dbraw/zinc/19/22/91/939192291.db2.gz AQBNJJPEAQAZMJ-LJQANCHMSA-N 1 0 373.449 3.668 20 10 FHCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000151066364 939962051 /nfs/dbraw/zinc/96/20/51/939962051.db2.gz GOXGSSACICJXQI-MRXNPFEDSA-N 1 0 355.438 3.591 20 10 FHCDRO CCc1oc(C(=O)OC)cc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000177153392 939970785 /nfs/dbraw/zinc/97/07/85/939970785.db2.gz KRHZYMKWOUVRNH-KRWDZBQOSA-N 1 0 373.449 3.515 20 10 FHCDRO CCc1cc(CN2CC[NH+](C3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000177172860 939994733 /nfs/dbraw/zinc/99/47/33/939994733.db2.gz YNXLDIRUZRYYMH-UHFFFAOYSA-N 1 0 360.542 3.549 20 10 FHCDRO COc1cc(C[NH2+]Cc2ccccc2O)ccc1OCc1ccncc1 ZINC000725845819 940246124 /nfs/dbraw/zinc/24/61/24/940246124.db2.gz JDCJWXUWMGGQMZ-UHFFFAOYSA-N 1 0 350.418 3.665 20 10 FHCDRO CC[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000177964139 940493655 /nfs/dbraw/zinc/49/36/55/940493655.db2.gz PGJAMEIBRVGKTD-NRFANRHFSA-N 1 0 353.510 3.830 20 10 FHCDRO Cc1nc(CN2CCC[C@@H]([NH2+][C@H](C)c3ccc4ccccc4c3O)C2)no1 ZINC000376304415 940736405 /nfs/dbraw/zinc/73/64/05/940736405.db2.gz FJBNRQUTQNTVJK-RHSMWYFYSA-N 1 0 366.465 3.552 20 10 FHCDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892646721 941070550 /nfs/dbraw/zinc/07/05/50/941070550.db2.gz YHIWJQDGOJOBMG-AWEZNQCLSA-N 1 0 372.465 3.684 20 10 FHCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000782841813 941107345 /nfs/dbraw/zinc/10/73/45/941107345.db2.gz GXHBWOYJPCMVEG-HNNXBMFYSA-N 1 0 353.397 3.518 20 10 FHCDRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166218465 941226114 /nfs/dbraw/zinc/22/61/14/941226114.db2.gz VTKSYKUEODOFKN-AWEZNQCLSA-N 1 0 361.461 3.551 20 10 FHCDRO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(O)c1OC ZINC000892693099 941313148 /nfs/dbraw/zinc/31/31/48/941313148.db2.gz BSMOMVQZOVZPNH-FUHWJXTLSA-N 1 0 361.413 3.558 20 10 FHCDRO COc1ccc(C[NH2+]CCCOc2cccc3cccnc32)c(O)c1OC ZINC000892885552 941649542 /nfs/dbraw/zinc/64/95/42/941649542.db2.gz ZBGJATAZFRKOFC-UHFFFAOYSA-N 1 0 368.433 3.516 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nccn1-c1ccccc1 ZINC000377407317 941700998 /nfs/dbraw/zinc/70/09/98/941700998.db2.gz KUBXJWJTAMRDNE-GOSISDBHSA-N 1 0 362.477 3.560 20 10 FHCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](N(C)Cc3ccccn3)CC2)c1 ZINC000377705654 941915698 /nfs/dbraw/zinc/91/56/98/941915698.db2.gz XSMCPAAADSBTFT-HKUYNNGSSA-N 1 0 369.509 3.843 20 10 FHCDRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H](C)c2cc(C)ccc2O)oc1C ZINC000377770978 941979159 /nfs/dbraw/zinc/97/91/59/941979159.db2.gz CMQWWVUFKAUZPS-XIRDDKMYSA-N 1 0 361.461 3.569 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)c(C(F)(F)F)c1 ZINC000279983900 942083779 /nfs/dbraw/zinc/08/37/79/942083779.db2.gz QPNMZSSKRRGLLT-INIZCTEOSA-N 1 0 352.404 3.672 20 10 FHCDRO COc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c(O)c1OC ZINC000893135749 942093430 /nfs/dbraw/zinc/09/34/30/942093430.db2.gz SFLNQYVDSKQRAM-INIZCTEOSA-N 1 0 355.434 3.946 20 10 FHCDRO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571599 942245520 /nfs/dbraw/zinc/24/55/20/942245520.db2.gz GHKHXSIHZDVYQW-SFHVURJKSA-N 1 0 357.542 3.946 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c(O)c1OC ZINC000893167343 942332403 /nfs/dbraw/zinc/33/24/03/942332403.db2.gz DQYQGCDPHRBTBW-HNNXBMFYSA-N 1 0 356.466 3.860 20 10 FHCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccc(C(F)(F)F)n3)C1)CCC2 ZINC000181466694 942551637 /nfs/dbraw/zinc/55/16/37/942551637.db2.gz XEURUKYWKGBVHU-MRXNPFEDSA-N 1 0 365.399 3.933 20 10 FHCDRO CN(C(=O)[C@H]1CC12CC[NH+](Cc1c(O)ccc3ccccc31)CC2)C1CC1 ZINC000378437025 942762493 /nfs/dbraw/zinc/76/24/93/942762493.db2.gz RQPOROLMMQQQTA-HXUWFJFHSA-N 1 0 364.489 3.768 20 10 FHCDRO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000273164593 942900038 /nfs/dbraw/zinc/90/00/38/942900038.db2.gz AOUUOIWNNJBEKF-IKGGRYGDSA-N 1 0 350.478 3.518 20 10 FHCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000363910689 943034196 /nfs/dbraw/zinc/03/41/96/943034196.db2.gz RTXIFQZEPJRUCM-QMKUDKLTSA-N 1 0 358.526 3.502 20 10 FHCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1OC ZINC000271869294 943063747 /nfs/dbraw/zinc/06/37/47/943063747.db2.gz WZOVFFFPFSIGOP-UHFFFAOYSA-N 1 0 373.449 3.655 20 10 FHCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2)c1 ZINC000185641614 943200066 /nfs/dbraw/zinc/20/00/66/943200066.db2.gz XTWYMBSLZYTTAO-HZPDHXFCSA-N 1 0 356.466 3.647 20 10 FHCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c1 ZINC000760018323 943567353 /nfs/dbraw/zinc/56/73/53/943567353.db2.gz OBDNGTYKTIXEHU-HKUYNNGSSA-N 1 0 356.535 3.969 20 10 FHCDRO COc1cc(C)cc(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)c1O ZINC000894310579 943879804 /nfs/dbraw/zinc/87/98/04/943879804.db2.gz ULNGUQOWFTVCJK-UHFFFAOYSA-N 1 0 369.509 3.534 20 10 FHCDRO COc1cc(N2CC[NH+](Cc3cc(C)cc(C)c3)CC2)cc(OC)c1OC ZINC000759886981 944739087 /nfs/dbraw/zinc/73/90/87/944739087.db2.gz RTGMFUVEYUTDHR-UHFFFAOYSA-N 1 0 370.493 3.651 20 10 FHCDRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000124017763 945003433 /nfs/dbraw/zinc/00/34/33/945003433.db2.gz JRVNICYJGMCLSR-CQSZACIVSA-N 1 0 363.820 3.581 20 10 FHCDRO COc1cc(Br)cc(CN2CCc3ccsc3C2)c1O ZINC000127048023 945390490 /nfs/dbraw/zinc/39/04/90/945390490.db2.gz CJYDGWVZUZVUQM-UHFFFAOYSA-N 1 0 354.269 3.783 20 10 FHCDRO c1ccc2[nH]c(NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)nc2c1 ZINC000301910371 946033326 /nfs/dbraw/zinc/03/33/26/946033326.db2.gz BSUPQCICKHJZDG-UHFFFAOYSA-N 1 0 361.493 3.707 20 10 FHCDRO COc1cccc2c(NCc3ccc(N4CCOCC4)c(F)c3)ccnc12 ZINC000302453364 946226283 /nfs/dbraw/zinc/22/62/83/946226283.db2.gz PUCSELSJBKTYNR-UHFFFAOYSA-N 1 0 367.424 3.831 20 10 FHCDRO O=C1NCCC2(CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)O1 ZINC000897018742 946463579 /nfs/dbraw/zinc/46/35/79/946463579.db2.gz MEYPXGJEKFLLON-UHFFFAOYSA-N 1 0 352.434 3.524 20 10 FHCDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(N2CCCCC2)cc1 ZINC000178451939 946621211 /nfs/dbraw/zinc/62/12/11/946621211.db2.gz JBAHSLNCPAYEQG-KRWDZBQOSA-N 1 0 369.484 3.897 20 10 FHCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000840935239 946835098 /nfs/dbraw/zinc/83/50/98/946835098.db2.gz JFDQCRTXPBLBSE-GOSISDBHSA-N 1 0 363.299 3.647 20 10 FHCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCCCN(Cc3ccccc3)C2)c1 ZINC000709629096 947002906 /nfs/dbraw/zinc/00/29/06/947002906.db2.gz OFTHBADABLHSRX-FQEVSTJZSA-N 1 0 354.494 3.935 20 10 FHCDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCC1 ZINC000756788881 947037676 /nfs/dbraw/zinc/03/76/76/947037676.db2.gz FWBSVTQETVJPJW-OLZOCXBDSA-N 1 0 356.304 3.994 20 10 FHCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cc(Cl)cc(C)c3O)n2)c1 ZINC000278863944 947744517 /nfs/dbraw/zinc/74/45/17/947744517.db2.gz FDNZGQISPLJZEW-LBPRGKRZSA-N 1 0 357.845 3.693 20 10 FHCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000178509145 948027483 /nfs/dbraw/zinc/02/74/83/948027483.db2.gz XGWFXLDZPBOAJA-NRFANRHFSA-N 1 0 368.477 3.535 20 10 FHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(OC)c1 ZINC000066972284 948129874 /nfs/dbraw/zinc/12/98/74/948129874.db2.gz KVYYRJQCFWGNFJ-HNNXBMFYSA-N 1 0 374.456 3.530 20 10 FHCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000729507285 948239050 /nfs/dbraw/zinc/23/90/50/948239050.db2.gz ZFDMFUAONBXLEX-UHFFFAOYSA-N 1 0 360.546 3.549 20 10 FHCDRO COc1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c(C)c1 ZINC001168002812 948265174 /nfs/dbraw/zinc/26/51/74/948265174.db2.gz YVONMOXYEKHHIH-WCRBZPEASA-N 1 0 369.553 3.531 20 10 FHCDRO CN1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 ZINC000328642423 529793821 /nfs/dbraw/zinc/79/38/21/529793821.db2.gz RALOGLXJQIXRFI-GMAHTHKFSA-N 1 0 364.537 3.855 20 10 FHCDRO Oc1ccccc1C[NH2+]Cc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000738400482 598887689 /nfs/dbraw/zinc/88/76/89/598887689.db2.gz JIFVEZYQSMVMCM-UHFFFAOYSA-N 1 0 363.446 3.591 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000472273639 936312483 /nfs/dbraw/zinc/31/24/83/936312483.db2.gz CCKDJCVFVXAKFP-MSOLQXFVSA-N 1 0 368.525 3.643 20 10 FHCDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000176760869 936387395 /nfs/dbraw/zinc/38/73/95/936387395.db2.gz NJBWVAHEMVYMLT-UHFFFAOYSA-N 1 0 374.868 3.710 20 10 FHCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)cc1OC ZINC000160209462 927286751 /nfs/dbraw/zinc/28/67/51/927286751.db2.gz WHARTBDMAIEFAS-UHFFFAOYSA-N 1 0 357.450 3.761 20 10 FHCDRO C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708210980 937163362 /nfs/dbraw/zinc/16/33/62/937163362.db2.gz JLLUJLZDFPFIIE-UHFFFAOYSA-N 1 0 361.711 3.582 20 10 FHCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000278102370 937173115 /nfs/dbraw/zinc/17/31/15/937173115.db2.gz KINYOHURAZSOHP-UHFFFAOYSA-N 1 0 365.399 3.569 20 10 FHCDRO COCCOc1ccc(N2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)cc1 ZINC001208167791 927929386 /nfs/dbraw/zinc/92/93/86/927929386.db2.gz KHTJZLLSDRSJFR-SFHVURJKSA-N 1 0 372.509 3.929 20 10 FHCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1O ZINC000175740699 928033657 /nfs/dbraw/zinc/03/36/57/928033657.db2.gz PIKKNEMUEVLULW-KRWDZBQOSA-N 1 0 357.425 3.773 20 10 FHCDRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000154700794 929212765 /nfs/dbraw/zinc/21/27/65/929212765.db2.gz SNAREYVNVWJBCR-PXDATVDWSA-N 1 0 356.535 3.886 20 10 FHCDRO CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)CC(F)F)[NH+](C)C)cc1 ZINC000891245772 930520079 /nfs/dbraw/zinc/52/00/79/930520079.db2.gz IYHMSKDNLHAPHA-MRXNPFEDSA-N 1 0 355.473 3.543 20 10 FHCDRO CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)CC(F)F)[NH+](C)C)cc1 ZINC000891245771 930520237 /nfs/dbraw/zinc/52/02/37/930520237.db2.gz IYHMSKDNLHAPHA-INIZCTEOSA-N 1 0 355.473 3.543 20 10 FHCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cscc2Cl)[NH+](C)C)cc1 ZINC000891248250 930533749 /nfs/dbraw/zinc/53/37/49/930533749.db2.gz XEPUEFFULCLWIS-MRXNPFEDSA-N 1 0 351.903 3.500 20 10 FHCDRO CSc1ccsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254257 930551234 /nfs/dbraw/zinc/55/12/34/930551234.db2.gz XXXKDWWFANZWFN-OAHLLOKOSA-N 1 0 363.552 3.569 20 10 FHCDRO C[NH+]1CCN(c2ccc(CNc3ncc4cccc(Cl)c4n3)cc2)CC1 ZINC001167423077 930919928 /nfs/dbraw/zinc/91/99/28/930919928.db2.gz MDGADVAUHANPJK-UHFFFAOYSA-N 1 0 367.884 3.647 20 10 FHCDRO CCCOc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC001167436866 931265400 /nfs/dbraw/zinc/26/54/00/931265400.db2.gz DFJMEKZATRKKCP-UHFFFAOYSA-N 1 0 357.473 3.978 20 10 FHCDRO CCN(C)c1ccc(C[N@H+](CC)[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC001167478132 932477155 /nfs/dbraw/zinc/47/71/55/932477155.db2.gz LDSFNSIGSUPLSK-NRFANRHFSA-N 1 0 351.494 3.770 20 10 FHCDRO COc1ccc(C[N@H+](C)Cc2ccccc2N2CCCC2)c(O)c1OC ZINC000891526749 932703760 /nfs/dbraw/zinc/70/37/60/932703760.db2.gz OZTKTLKJGJBRPT-UHFFFAOYSA-N 1 0 356.466 3.642 20 10 FHCDRO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)c(O)c1OC ZINC000891744637 933105811 /nfs/dbraw/zinc/10/58/11/933105811.db2.gz XWVMRWXDRVMHGM-UHFFFAOYSA-N 1 0 369.461 3.813 20 10 FHCDRO COc1ccc2ccc(O)c(C[NH+]3CCN([C@H](C)C(F)(F)F)CC3)c2c1 ZINC000176069380 933408429 /nfs/dbraw/zinc/40/84/29/933408429.db2.gz BILRMVJYRRQQTK-CYBMUJFWSA-N 1 0 368.399 3.622 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000471887168 933472475 /nfs/dbraw/zinc/47/24/75/933472475.db2.gz INULQYBWBCAKNZ-IBGZPJMESA-N 1 0 358.530 3.652 20 10 FHCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093593319 934156069 /nfs/dbraw/zinc/15/60/69/934156069.db2.gz RKMFLBIIJWVZKD-SFHVURJKSA-N 1 0 370.468 3.660 20 10 FHCDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2O)s1 ZINC000892102651 935000823 /nfs/dbraw/zinc/00/08/23/935000823.db2.gz FKEGAUZCVHQMRB-GFCCVEGCSA-N 1 0 350.484 3.930 20 10 FHCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC000707921712 935126681 /nfs/dbraw/zinc/12/66/81/935126681.db2.gz KNEKUOZJBFVLSJ-SCTDSRPQSA-N 1 0 359.514 3.630 20 10 FHCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000157769359 938427981 /nfs/dbraw/zinc/42/79/81/938427981.db2.gz RPGAVGFOHRVVOR-VXKWHMMOSA-N 1 0 352.478 3.784 20 10 FHCDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151530321 940000787 /nfs/dbraw/zinc/00/07/87/940000787.db2.gz BOENQQMEWCXVEU-HNNXBMFYSA-N 1 0 358.457 3.646 20 10 FHCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278793685 940025498 /nfs/dbraw/zinc/02/54/98/940025498.db2.gz QMMATKAQOHPQDA-MZPVMMEZSA-N 1 0 373.324 3.727 20 10 FHCDRO COC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)c1ccc(C)o1 ZINC000177567047 940287493 /nfs/dbraw/zinc/28/74/93/940287493.db2.gz YKEUVYMNCHYMHV-ZDUSSCGKSA-N 1 0 370.243 3.542 20 10 FHCDRO CSCC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000164225857 945317083 /nfs/dbraw/zinc/31/70/83/945317083.db2.gz CTMOQJCJKFEXIV-MAUKXSAKSA-N 1 0 369.538 3.940 20 10 FHCDRO CSCC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000164225759 945318255 /nfs/dbraw/zinc/31/82/55/945318255.db2.gz CTMOQJCJKFEXIV-QAPCUYQASA-N 1 0 369.538 3.940 20 10 FHCDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177973230 940495533 /nfs/dbraw/zinc/49/55/33/940495533.db2.gz RSOOPRAYHUOOTL-INIZCTEOSA-N 1 0 355.457 3.933 20 10 FHCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000178170549 940742032 /nfs/dbraw/zinc/74/20/32/940742032.db2.gz PQFKWEYJZYDJQE-LJQANCHMSA-N 1 0 359.901 3.877 20 10 FHCDRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395766 941152278 /nfs/dbraw/zinc/15/22/78/941152278.db2.gz GMRAFMHJNWUSLR-UGSOOPFHSA-N 1 0 363.299 3.899 20 10 FHCDRO COc1ccc(C[NH2+]CCc2ccc(Br)s2)c(O)c1OC ZINC000892678788 941165046 /nfs/dbraw/zinc/16/50/46/941165046.db2.gz KQTADKMHNNFPFR-UHFFFAOYSA-N 1 0 372.284 3.566 20 10 FHCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000066700822 941224597 /nfs/dbraw/zinc/22/45/97/941224597.db2.gz BCWPHKSBXSQDIG-IBGZPJMESA-N 1 0 373.472 3.756 20 10 FHCDRO CCOCOc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000782954137 941334130 /nfs/dbraw/zinc/33/41/30/941334130.db2.gz ZDPSYSAKWDXFDP-UHFFFAOYSA-N 1 0 372.534 3.902 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 ZINC000376893844 941460935 /nfs/dbraw/zinc/46/09/35/941460935.db2.gz QPDMKVGWGPONLR-FZKQIMNGSA-N 1 0 368.437 3.894 20 10 FHCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(c3nnc4cc(C)ccn43)CC2)c1 ZINC000377683854 941898058 /nfs/dbraw/zinc/89/80/58/941898058.db2.gz VFJVGKZBJYWJMB-HNNXBMFYSA-N 1 0 366.465 3.693 20 10 FHCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000377693514 941907789 /nfs/dbraw/zinc/90/77/89/941907789.db2.gz GSPOGRPMQYILRO-HOTGVXAUSA-N 1 0 365.437 3.911 20 10 FHCDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179762642 942280770 /nfs/dbraw/zinc/28/07/70/942280770.db2.gz MLMZKAOOWZBVOR-UHFFFAOYSA-N 1 0 354.450 3.560 20 10 FHCDRO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Br)c(F)cc1[O-] ZINC000756363653 942301255 /nfs/dbraw/zinc/30/12/55/942301255.db2.gz QCGHNAJHIPRBGM-SNVBAGLBSA-N 1 0 364.218 3.792 20 10 FHCDRO C[N@H+](Cc1cc(F)ccc1O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179983727 942309723 /nfs/dbraw/zinc/30/97/23/942309723.db2.gz GJMSTVXCDMPLDW-SJPCQFCGSA-N 1 0 364.461 3.894 20 10 FHCDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)n1-c1ccccc1C ZINC000261834531 942326767 /nfs/dbraw/zinc/32/67/67/942326767.db2.gz PAPAPZLXAOBBSJ-UHFFFAOYSA-N 1 0 351.494 3.618 20 10 FHCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c(O)c1OC ZINC000893167344 942332369 /nfs/dbraw/zinc/33/23/69/942332369.db2.gz DQYQGCDPHRBTBW-OAHLLOKOSA-N 1 0 356.466 3.860 20 10 FHCDRO CCCOc1ccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c(O)c1 ZINC000378274721 942493009 /nfs/dbraw/zinc/49/30/09/942493009.db2.gz SVOZLWYXXDPFRF-UHFFFAOYSA-N 1 0 351.450 3.871 20 10 FHCDRO CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)ccc1O ZINC000228334887 942714850 /nfs/dbraw/zinc/71/48/50/942714850.db2.gz GZQWMCZYELVZNB-CYBMUJFWSA-N 1 0 357.292 3.500 20 10 FHCDRO COc1cc(O)c(C[NH2+]CCc2ccccc2OC(F)(F)F)cc1OC ZINC000182621893 942765667 /nfs/dbraw/zinc/76/56/67/942765667.db2.gz SDDJXUBVRNDRQB-UHFFFAOYSA-N 1 0 371.355 3.640 20 10 FHCDRO Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3O)[C@H](C)C2)s1 ZINC000363858840 942865903 /nfs/dbraw/zinc/86/59/03/942865903.db2.gz RGAVZVMJQUWWEY-VFVRVIDISA-N 1 0 363.502 3.857 20 10 FHCDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c(O)c1C ZINC000273377112 942944189 /nfs/dbraw/zinc/94/41/89/942944189.db2.gz HNXWNWDBLSNIQK-LBPRGKRZSA-N 1 0 364.371 3.921 20 10 FHCDRO C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cc(F)ccc1O ZINC000273534420 942980234 /nfs/dbraw/zinc/98/02/34/942980234.db2.gz WZLOJIWXIUEQOR-CQSZACIVSA-N 1 0 358.461 3.630 20 10 FHCDRO C[C@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1cc(F)ccc1O ZINC000760017463 942998414 /nfs/dbraw/zinc/99/84/14/942998414.db2.gz MNBPZHWEMJKEFD-MAUKXSAKSA-N 1 0 360.498 3.800 20 10 FHCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)CC1CCS(=O)(=O)CC1 ZINC000271793535 943051502 /nfs/dbraw/zinc/05/15/02/943051502.db2.gz ARNIVDVKRQSLMD-QGZVFWFLSA-N 1 0 373.518 3.780 20 10 FHCDRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc2c(cc1O)CCCC2 ZINC000185687421 943206228 /nfs/dbraw/zinc/20/62/28/943206228.db2.gz YYLLDCKIWRSPET-YOEHRIQHSA-N 1 0 355.457 3.735 20 10 FHCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccc(F)cc2C1 ZINC000364066293 943481220 /nfs/dbraw/zinc/48/12/20/943481220.db2.gz YHYZIBFVGQQHEE-FQEVSTJZSA-N 1 0 373.447 3.614 20 10 FHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC2CC2)C1 ZINC000435875110 943828066 /nfs/dbraw/zinc/82/80/66/943828066.db2.gz BHIDVQBMOLCICE-INIZCTEOSA-N 1 0 353.510 3.713 20 10 FHCDRO CCc1cccc(C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1O ZINC000711611320 943841040 /nfs/dbraw/zinc/84/10/40/943841040.db2.gz DLXCTVIDTZJTAP-UTKZUKDTSA-N 1 0 360.498 3.976 20 10 FHCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000123090823 944085721 /nfs/dbraw/zinc/08/57/21/944085721.db2.gz QCLHHPPVMXIYIM-JVPBZIDWSA-N 1 0 352.906 3.785 20 10 FHCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1O ZINC000759783378 944211650 /nfs/dbraw/zinc/21/16/50/944211650.db2.gz KWSIAGOWWIDZQJ-UHFFFAOYSA-N 1 0 355.409 3.755 20 10 FHCDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000297374667 944341083 /nfs/dbraw/zinc/34/10/83/944341083.db2.gz QROCUHKMRRWSOE-CVEARBPZSA-N 1 0 355.438 3.843 20 10 FHCDRO Cc1nc(C)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000123762489 944417017 /nfs/dbraw/zinc/41/70/17/944417017.db2.gz SQOCINMZRGWXJN-MRXNPFEDSA-N 1 0 365.930 3.873 20 10 FHCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311311751 944643398 /nfs/dbraw/zinc/64/33/98/944643398.db2.gz NDANCNCLQACJPT-HUUCEWRRSA-N 1 0 364.486 3.841 20 10 FHCDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)cc1 ZINC000894814628 944667277 /nfs/dbraw/zinc/66/72/77/944667277.db2.gz YYJTVOOSEFKZNG-OAQYLSRUSA-N 1 0 371.477 3.663 20 10 FHCDRO COCC1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000838978704 944680295 /nfs/dbraw/zinc/68/02/95/944680295.db2.gz DGXVFWPHYSFFQL-UHFFFAOYSA-N 1 0 353.304 3.708 20 10 FHCDRO COc1cc(N2CC[NH+](C[C@@H]3CCC[C@H](C)C3)CC2)cc(OC)c1OC ZINC000759879052 944702890 /nfs/dbraw/zinc/70/28/90/944702890.db2.gz RFUGJZJCMKGFLM-DLBZAZTESA-N 1 0 362.514 3.661 20 10 FHCDRO CC(=O)N1CCC(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000293653585 944873770 /nfs/dbraw/zinc/87/37/70/944873770.db2.gz ISZBCTNBPNLOMI-JOCHJYFZSA-N 1 0 366.505 3.914 20 10 FHCDRO CC[C@H]([NH2+]Cc1cnccc1OC)c1cc(Br)ccc1O ZINC000294389051 945062255 /nfs/dbraw/zinc/06/22/55/945062255.db2.gz RWQGVOAMYPOOLA-AWEZNQCLSA-N 1 0 351.244 3.799 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000820425662 945447272 /nfs/dbraw/zinc/44/72/72/945447272.db2.gz ACRQHOODILKJTM-MRXNPFEDSA-N 1 0 362.481 3.708 20 10 FHCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000093140096 945684374 /nfs/dbraw/zinc/68/43/74/945684374.db2.gz AFPYKZHQWDSIDH-UHFFFAOYSA-N 1 0 358.526 3.837 20 10 FHCDRO C[C@H](c1ccccc1)N(Cc1ncnn1CCF)Cc1ccccc1O ZINC000281750794 945842234 /nfs/dbraw/zinc/84/22/34/945842234.db2.gz XWRIPTDLXFJUCL-MRXNPFEDSA-N 1 0 354.429 3.717 20 10 FHCDRO Clc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccn1 ZINC000301920903 946038690 /nfs/dbraw/zinc/03/86/90/946038690.db2.gz JFTKFZMBURLHIT-UHFFFAOYSA-N 1 0 356.901 3.879 20 10 FHCDRO c1ccc2oc(NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)nc2c1 ZINC000301924006 946040900 /nfs/dbraw/zinc/04/09/00/946040900.db2.gz KQPKNXOQHIHYKJ-UHFFFAOYSA-N 1 0 362.477 3.972 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C)(C)C2)C1 ZINC000444244749 946120774 /nfs/dbraw/zinc/12/07/74/946120774.db2.gz JOZOHGGZXBBWHP-UHFFFAOYSA-N 1 0 353.510 3.666 20 10 FHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H]2C)C1 ZINC000444258416 946141630 /nfs/dbraw/zinc/14/16/30/946141630.db2.gz HCOYYNGKNPTUBJ-DLBZAZTESA-N 1 0 353.510 3.665 20 10 FHCDRO CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000108927583 946158362 /nfs/dbraw/zinc/15/83/62/946158362.db2.gz SGUZKHOVKRJAPG-GOSISDBHSA-N 1 0 372.553 3.990 20 10 FHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)ccc3C)cc2F)CC1 ZINC000303249069 946529835 /nfs/dbraw/zinc/52/98/35/946529835.db2.gz AFPQIOPMJLXWKE-UHFFFAOYSA-N 1 0 369.484 3.514 20 10 FHCDRO OCC1([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc2)CCOCC1 ZINC000894919691 946605263 /nfs/dbraw/zinc/60/52/63/946605263.db2.gz KLRLBYMYEWPUDL-JOCHJYFZSA-N 1 0 367.489 3.632 20 10 FHCDRO COCCOc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1OC ZINC000475199757 946715065 /nfs/dbraw/zinc/71/50/65/946715065.db2.gz XEWMWOVQOLVDMI-UHFFFAOYSA-N 1 0 368.477 3.810 20 10 FHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418095903 946903445 /nfs/dbraw/zinc/90/34/45/946903445.db2.gz HJHBJLZLINRJNI-MJGOQNOKSA-N 1 0 368.525 3.550 20 10 FHCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000165171341 947701125 /nfs/dbraw/zinc/70/11/25/947701125.db2.gz WGAZUOSWOIRPBV-AWEZNQCLSA-N 1 0 362.420 3.661 20 10 FHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000165176417 947706592 /nfs/dbraw/zinc/70/65/92/947706592.db2.gz CGXBKEISZWXHFL-MRXNPFEDSA-N 1 0 357.473 3.579 20 10 FHCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCc3c2cccc3O)c1O ZINC000105486516 948043462 /nfs/dbraw/zinc/04/34/62/948043462.db2.gz XKGMAPPDMPHLIB-CQSZACIVSA-N 1 0 364.239 3.646 20 10 FHCDRO CN1CCCc2cc(C[NH2+]C3CCN(CCc4ccccc4)CC3)ccc21 ZINC000237188320 948311132 /nfs/dbraw/zinc/31/11/32/948311132.db2.gz KTCHTWRRLFQVHI-UHFFFAOYSA-N 1 0 363.549 3.866 20 10 FHCDRO Fc1cc(C[NH2+]Cc2nccc3ccccc32)ccc1N1CCOCC1 ZINC000066990308 948576821 /nfs/dbraw/zinc/57/68/21/948576821.db2.gz YGPXOZWQNDTZMY-UHFFFAOYSA-N 1 0 351.425 3.500 20 10 FHCDRO CC(C)c1ccc(O)c(C[NH2+]C(C)(C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574418214 948776255 /nfs/dbraw/zinc/77/62/55/948776255.db2.gz VNJDTPQPDAGZAI-UHFFFAOYSA-N 1 0 365.481 3.807 20 10 FHCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc3c2OCC3)c(O)c1OC ZINC000897339747 948789672 /nfs/dbraw/zinc/78/96/72/948789672.db2.gz MIMGSUGDZKXXEW-NSHDSACASA-N 1 0 363.841 3.849 20 10 FHCDRO COc1cccc(C[N@@H+](Cc2cccc(OC)c2O)C[C@@H]2CCCO2)c1 ZINC000013993770 220102136 /nfs/dbraw/zinc/10/21/36/220102136.db2.gz VMUJLBGIHHJTGY-IBGZPJMESA-N 1 0 357.450 3.591 20 10 FHCDRO Cn1cc(-c2ncc(C[N@H+](Cc3ccccc3O)C3CCCC3)cn2)cn1 ZINC000365422692 568651142 /nfs/dbraw/zinc/65/11/42/568651142.db2.gz VJZSOMDWGAXHDZ-UHFFFAOYSA-N 1 0 363.465 3.528 20 10 FHCDRO CC[NH+](CC)CC1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737087294 600422926 /nfs/dbraw/zinc/42/29/26/600422926.db2.gz VESDVBXBRLCZHZ-UHFFFAOYSA-N 1 0 370.493 3.797 20 10 FHCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000820921525 607087036 /nfs/dbraw/zinc/08/70/36/607087036.db2.gz ZBRBZHYTHXZLRE-LIRRHRJNSA-N 1 0 350.470 3.735 20 10 FHCDRO CCOc1cccc(C[N@H+](CC)[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC000825649668 608551218 /nfs/dbraw/zinc/55/12/18/608551218.db2.gz UTZXZEUMNCQDAR-AWEZNQCLSA-N 1 0 367.453 3.554 20 10 FHCDRO CCOc1ccc(C[N@H+](CC)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC000825639116 608551499 /nfs/dbraw/zinc/55/14/99/608551499.db2.gz RBIWPKJESANLEH-CQSZACIVSA-N 1 0 367.453 3.554 20 10 FHCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000825394503 609251623 /nfs/dbraw/zinc/25/16/23/609251623.db2.gz FPIJZHJBRPJSRI-OAHLLOKOSA-N 1 0 362.481 3.663 20 10 FHCDRO