smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1cc(C(N)=O)ccc1Oc1ccc(OC(F)(F)F)cc1 ZINC000000593143 219304859 /nfs/dbraw/zinc/30/48/59/219304859.db2.gz MOEZDBSMUWWXGO-UHFFFAOYSA-N 1 0 354.328 3.538 1 0 FHAFRO COc1ccc2c(c1)SC1=Nc3sc4cc(OC)ccc4[n+]3CN21 ZINC000001663455 204015972 /nfs/dbraw/zinc/01/59/72/204015972.db2.gz HAJFSHSXNMOKHJ-UHFFFAOYSA-N 1 0 356.452 3.777 1 0 FHAFRO C[C@H](CC[N@@H+]1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc21 ZINC000003953083 204116649 /nfs/dbraw/zinc/11/66/49/204116649.db2.gz XZYWRBPKJXHPIN-QZTJIDSGSA-N 1 0 374.550 3.971 1 0 FHAFRO Cc1ccc(Sc2c3ccccc3[nH]c2C(=O)NCC[NH+](C)C)cc1 ZINC000006798749 204271268 /nfs/dbraw/zinc/27/12/68/204271268.db2.gz JBIVLWVXKJBLTG-UHFFFAOYSA-N 1 0 353.491 3.919 1 0 FHAFRO CC[NH+](CC)CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 ZINC000027999209 204873224 /nfs/dbraw/zinc/87/32/24/204873224.db2.gz PBKDIZDDELFTGW-WMLDXEAASA-N 1 0 350.890 3.830 1 0 FHAFRO CC(C)CC[N@@H+]1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1 ZINC000028825036 204889443 /nfs/dbraw/zinc/88/94/43/204889443.db2.gz FYVOABSNOLJXJQ-UHFFFAOYSA-N 1 0 353.466 3.767 1 0 FHAFRO CCC[C@@H](c1ccccc1)[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000028885792 204891788 /nfs/dbraw/zinc/89/17/88/204891788.db2.gz HQFIBOUMMLVIND-NRFANRHFSA-N 1 0 363.505 3.956 1 0 FHAFRO COc1ccc2c(c1)[C@]13CC[N@H+](CC4CCC4)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 ZINC000029216144 204896590 /nfs/dbraw/zinc/89/65/90/204896590.db2.gz JKRWGJJCQQNKLV-MMWSRIRUSA-N 1 0 353.506 3.979 1 0 FHAFRO CN(c1ccc2[nH]c(-c3n[nH]c4ccccc43)nc2c1)C1CC[NH+](C)CC1 ZINC000036176903 205007375 /nfs/dbraw/zinc/00/73/75/205007375.db2.gz AEXAYHMFAIXNSU-UHFFFAOYSA-N 1 0 360.465 3.637 1 0 FHAFRO CC(C)[C@@H]([NH3+])C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 ZINC000036184645 205007841 /nfs/dbraw/zinc/00/78/41/205007841.db2.gz GNFWJCGIZJCASB-VQTJNVASSA-N 1 0 356.416 3.915 1 0 FHAFRO C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@@H]2CN(c3cncnc3)C[C@@H]2C1 ZINC000036289099 205008544 /nfs/dbraw/zinc/00/85/44/205008544.db2.gz GDPOVVOCCNPUOW-NZQKXSOJSA-N 1 0 360.505 3.655 1 0 FHAFRO O=S(=O)(c1c[nH]c2cccc(CC[NH+]3CCCC3)c21)c1ccccc1 ZINC000039829605 205047763 /nfs/dbraw/zinc/04/77/63/205047763.db2.gz GRBCPJNRLNFZRM-UHFFFAOYSA-N 1 0 354.475 3.639 1 0 in-vitro FHAFRO CCCOc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000040879560 205084329 /nfs/dbraw/zinc/08/43/29/205084329.db2.gz GIRQQXWGXBMCNO-UHFFFAOYSA-N 1 0 364.421 3.877 1 0 FHAFRO CC(C)[NH+](CC[C@@](CCn1cccc1)(C(N)=O)c1ccccc1F)C(C)C ZINC000040465003 205071810 /nfs/dbraw/zinc/07/18/10/205071810.db2.gz KRSMJLSGOWXLML-JOCHJYFZSA-N 1 0 373.516 3.950 1 0 FHAFRO Fc1ccc([C@@H](Cc2ccccc2OC(F)F)N2CC[NH2+]CC2)cc1 ZINC000049037072 205168346 /nfs/dbraw/zinc/16/83/46/205168346.db2.gz IAMMWWXBTYJBCX-QGZVFWFLSA-N 1 0 350.384 3.616 1 0 in-vitro FHAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)nn1 ZINC000049089386 205168390 /nfs/dbraw/zinc/16/83/90/205168390.db2.gz PZVTWWKRIHYSCB-KBPBESRZSA-N 1 0 373.382 3.536 1 0 FHAFRO CNc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)cc1-c1nc2ccccc2o1 ZINC000053246903 205192530 /nfs/dbraw/zinc/19/25/30/205192530.db2.gz ZJLJNEZUECVDBB-UHFFFAOYSA-N 1 0 374.448 3.720 1 0 FHAFRO COc1ncnc2c1ncn2CCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000061922660 205289203 /nfs/dbraw/zinc/28/92/03/205289203.db2.gz NGFBANXMJUXFKL-OAHLLOKOSA-N 1 0 361.449 3.729 3 0 FHAFRO [NH3+]CC[C@@H](C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1 ZINC000063298351 205292265 /nfs/dbraw/zinc/29/22/65/205292265.db2.gz XYZNKCSDQRKAFR-CYBMUJFWSA-N 1 0 363.248 3.941 1 0 FHAFRO O=C(c1cc(-n2ccc3c[nH+]ccc32)c(O)cc1O)N1Cc2ccccc2C1 ZINC000169343528 206253606 /nfs/dbraw/zinc/25/36/06/206253606.db2.gz HWXYPOSCBPQPMK-UHFFFAOYSA-N 1 0 371.396 3.593 1 0 FHAFRO O=C1c2ccccc2C[C@H]1CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000169350273 132261741 /nfs/dbraw/zinc/26/17/41/132261741.db2.gz CPFAMVVFLCOFSK-QGZVFWFLSA-N 1 0 354.881 3.907 1 0 FHAFRO c1cc(Oc2ccc(C3=NCCO3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000000587640 581091966 /nfs/dbraw/zinc/09/19/66/581091966.db2.gz OOFLUGQLPZSRDT-UHFFFAOYSA-N 1 0 352.434 3.730 1 0 FHAFRO C[NH+](C)CCCN1c2ccc(Cl)cc2C(c2ccccc2F)=NCC1=O ZINC000002038065 204025136 /nfs/dbraw/zinc/02/51/36/204025136.db2.gz ZREXWFCZCPEJID-UHFFFAOYSA-N 1 0 373.859 3.615 1 0 FHAFRO O=C(c1cccc(F)c1)N1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000003955898 204117280 /nfs/dbraw/zinc/11/72/80/204117280.db2.gz WBTSNXWOVFHHFQ-UHFFFAOYSA-N 1 0 367.468 3.739 1 0 FHAFRO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004958440 204180356 /nfs/dbraw/zinc/18/03/56/204180356.db2.gz NDVNRMFVHPDGAY-UHFFFAOYSA-N 1 0 371.912 3.983 3 0 FHAFRO CC1=C(C(=O)Nc2c(C)cc(C)cc2C)C2(CC[NH+](C(C)C)CC2)OC1=O ZINC000008600176 204336228 /nfs/dbraw/zinc/33/62/28/204336228.db2.gz YDDLNTJQDJBVCH-UHFFFAOYSA-N 1 0 370.493 3.667 1 0 FHAFRO COc1ccc2c(c1)[C@H](NCC[NH+](C(C)C)C(C)C)c1cccnc1CO2 ZINC000026840882 204857201 /nfs/dbraw/zinc/85/72/01/204857201.db2.gz VWKIAYZFXKMFHJ-JOCHJYFZSA-N 1 0 369.509 3.780 1 0 FHAFRO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1OCC(F)(F)F ZINC000028218940 204876920 /nfs/dbraw/zinc/87/69/20/204876920.db2.gz OBVKWEULMVEUGZ-LLVKDONJSA-N 1 0 357.376 3.724 1 0 FHAFRO CC(C)[NH2+]CCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c21 ZINC000039830248 205047235 /nfs/dbraw/zinc/04/72/35/205047235.db2.gz YHPHFVMVXIQRCD-UHFFFAOYSA-N 1 0 356.491 3.931 1 0 in-vitro FHAFRO Cc1c(OS(=O)(=O)c2cccc(Cl)c2)cccc1C1CC[NH2+]CC1 ZINC000040379302 205067921 /nfs/dbraw/zinc/06/79/21/205067921.db2.gz ZROUIXGNYSVMHU-UHFFFAOYSA-N 1 0 365.882 3.883 1 0 FHAFRO Cc1nn(-c2ncccc2C)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000040394832 205068680 /nfs/dbraw/zinc/06/86/80/205068680.db2.gz SLRRKIAIUARVQX-UHFFFAOYSA-N 1 0 374.488 3.906 1 0 FHAFRO CC(C)[NH+](CC[C@](CCn1cccc1)(C(N)=O)c1ccccc1)C(C)C ZINC000040822682 205081178 /nfs/dbraw/zinc/08/11/78/205081178.db2.gz BECIZJDMJJYFIJ-QFIPXVFZSA-N 1 0 355.526 3.810 1 0 FHAFRO C[C@H](Oc1ccccc1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCC[NH2+]1 ZINC000040422710 205070700 /nfs/dbraw/zinc/07/07/00/205070700.db2.gz XBTWVVKEPQZCNG-QFBILLFUSA-N 1 0 372.896 3.888 1 0 FHAFRO COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(SC)cc1)[N@@H+]2CCCF ZINC000045290732 205119398 /nfs/dbraw/zinc/11/93/98/205119398.db2.gz GBDCEJWZYYZILX-BGTYHANMSA-N 1 0 351.487 3.878 1 0 FHAFRO Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)cccc1C1CC[NH2+]CC1 ZINC000045484411 205122804 /nfs/dbraw/zinc/12/28/04/205122804.db2.gz FYGGYWPKRKRWJU-UHFFFAOYSA-N 1 0 365.882 3.883 1 0 FHAFRO O=C(c1ccc(Br)cc1)C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000049068429 205169018 /nfs/dbraw/zinc/16/90/18/205169018.db2.gz SMOCSSMOCXIMPM-IAGOWNOFSA-N 1 0 366.299 3.647 1 0 FHAFRO OCC[C@H]1Cc2ccccc2C2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000053243121 205192107 /nfs/dbraw/zinc/19/21/07/205192107.db2.gz TUFFDFRXRYJTGB-QFIPXVFZSA-N 1 0 365.517 3.934 1 0 FHAFRO CCn1c2cc[nH+]cc2c2cc(NS(=O)(=O)c3cccc(N)c3)ccc21 ZINC000064559322 205300927 /nfs/dbraw/zinc/30/09/27/205300927.db2.gz CJMJMGZJEWPLRJ-UHFFFAOYSA-N 1 0 366.446 3.592 1 0 FHAFRO C[C@H]1CCC[N@@H+]1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O ZINC000059114026 205279800 /nfs/dbraw/zinc/27/98/00/205279800.db2.gz PESOUNLSPHQJGL-INIZCTEOSA-N 1 0 352.453 3.975 1 0 FHAFRO COc1ccccc1-c1nnc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000066258770 205365597 /nfs/dbraw/zinc/36/55/97/205365597.db2.gz DOSSKZRHSMXORN-UHFFFAOYSA-N 1 0 358.511 3.668 1 0 FHAFRO CC(=O)c1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)c1 ZINC000066251026 205364505 /nfs/dbraw/zinc/36/45/05/205364505.db2.gz MFTIZYIOACEQCN-UHFFFAOYSA-N 1 0 370.522 3.862 1 0 FHAFRO CCOc1cccc(-c2nc(CN3CCC[C@H]3C[NH+]3CCCC3)co2)c1 ZINC000072185686 205501087 /nfs/dbraw/zinc/50/10/87/205501087.db2.gz LLUPEYRYMWCQEM-IBGZPJMESA-N 1 0 355.482 3.801 1 0 FHAFRO O=C([O-])CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@H](C[NH+]1Cc1ccccc1F)[C@@H]23 ZINC000169333609 206252097 /nfs/dbraw/zinc/25/20/97/206252097.db2.gz RAMXBPYKMDFNSS-DBQGFPOUSA-N 1 0 374.500 3.755 1 0 FHAFRO CC[NH2+]Cc1nnc(C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000169333094 206252355 /nfs/dbraw/zinc/25/23/55/206252355.db2.gz ASRTZSAHRJAXBV-UHFFFAOYSA-N 1 0 354.841 3.570 1 0 FHAFRO Cc1ccc(S(=O)(=O)n2c3ccccc3c3c2CC[C@@H]([NH+](C)C)C3)cc1 ZINC000060325491 221129380 /nfs/dbraw/zinc/12/93/80/221129380.db2.gz DEZPWQOAHILRIP-MRXNPFEDSA-N 1 0 368.502 3.606 1 0 FHAFRO O=C([C@H](Cc1ccccc1)c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095556017 132215348 /nfs/dbraw/zinc/21/53/48/132215348.db2.gz IUSILDXGJIMQTD-HSZRJFAPSA-N 1 0 371.484 3.757 1 0 FHAFRO COc1cccc([C@H]2CC[C@H]([NH+]3CCN(c4ccccn4)CC3)CC2)c1 ZINC000100085673 132231878 /nfs/dbraw/zinc/23/18/78/132231878.db2.gz SHEZXZSIBXLQMP-PUZFROQSSA-N 1 0 351.494 3.939 1 0 FHAFRO Cc1ccc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)CC2)cc1C ZINC000072186380 136143847 /nfs/dbraw/zinc/14/38/47/136143847.db2.gz PJSLXYLUENJECF-UHFFFAOYSA-N 1 0 363.461 3.986 1 0 FHAFRO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)ncn2C1CCCC1 ZINC000002933296 204068943 /nfs/dbraw/zinc/06/89/43/204068943.db2.gz XHLWPYCYWUKOLK-UHFFFAOYSA-N 1 0 354.498 3.757 3 0 FHAFRO COc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccco3)CC2)CC1 ZINC000003955942 204116531 /nfs/dbraw/zinc/11/65/31/204116531.db2.gz RQNUXWCGFZLWHD-UHFFFAOYSA-N 1 0 368.477 3.807 1 0 FHAFRO C[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000004564896 204147768 /nfs/dbraw/zinc/14/77/68/204147768.db2.gz XEGOBYSRTDSXFT-YWZLYKJASA-N 1 0 352.434 3.827 3 0 FHAFRO Cc1nc2ccccc2c2oc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc21 ZINC000004902798 204174103 /nfs/dbraw/zinc/17/41/03/204174103.db2.gz UTJCXGBYVFOGTA-CQSZACIVSA-N 1 0 351.450 3.894 3 0 FHAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004940316 204178649 /nfs/dbraw/zinc/17/86/49/204178649.db2.gz ZUJAQNXITNYJQA-HNNXBMFYSA-N 1 0 371.912 3.981 1 0 FHAFRO C[C@H]1CCC[C@H](C)[NH+]1CCCNc1ccc2nnc(-c3ccccc3)n2n1 ZINC000005051443 204187929 /nfs/dbraw/zinc/18/79/29/204187929.db2.gz CNVCRXUSVMKSFR-IRXDYDNUSA-N 1 0 364.497 3.856 1 0 FHAFRO O=S(=O)(c1cccc(Cl)c1)n1cc([C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000006013364 204233307 /nfs/dbraw/zinc/23/33/07/204233307.db2.gz FUQPHANCZOHROJ-CQSZACIVSA-N 1 0 374.893 3.999 1 0 FHAFRO O[C@@H]1c2ccc(F)cc2C[C@H]1[NH+]1CCC(c2cccc3c2OCCC3)CC1 ZINC000013471820 204531144 /nfs/dbraw/zinc/53/11/44/204531144.db2.gz PPPYBCSUNHZWSN-FGZHOGPDSA-N 1 0 367.464 3.988 1 0 FHAFRO CCOc1ccc(OCC)c(NC(=O)c2cc(C)c(OCC[NH3+])c(C)c2)c1 ZINC000016052611 204629931 /nfs/dbraw/zinc/62/99/31/204629931.db2.gz PHTPPZCTHZHCQD-UHFFFAOYSA-N 1 0 372.465 3.691 1 0 in-vivo FHAFRO O=C1CC2(CCCC2)CC(=O)N1CCCC[NH+]1CCc2ccccc2CC1 ZINC000027719238 204868880 /nfs/dbraw/zinc/86/88/80/204868880.db2.gz YABITBYMJYNNDT-UHFFFAOYSA-N 1 0 368.521 3.577 1 0 FHAFRO CC[NH+](CC)CCCn1c2ccccc2nc1Cn1nnc2ccccc21 ZINC000026189206 204847066 /nfs/dbraw/zinc/84/70/66/204847066.db2.gz RPFDRMGQUCUZCI-UHFFFAOYSA-N 1 0 362.481 3.561 1 0 FHAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)[C@@H]1Cc2ccccc21 ZINC000028568983 204884677 /nfs/dbraw/zinc/88/46/77/204884677.db2.gz XWOWAOGKMPUIDL-JOCHJYFZSA-N 1 0 374.528 3.813 1 0 FHAFRO C[C@H](Oc1ccccc1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCC[NH2+]1 ZINC000040423122 205070219 /nfs/dbraw/zinc/07/02/19/205070219.db2.gz HXLRPJHMHZZHBD-FUHWJXTLSA-N 1 0 372.896 3.888 1 0 FHAFRO C[C@@H](Oc1ccccc1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCC[NH2+]1 ZINC000040422712 205070532 /nfs/dbraw/zinc/07/05/32/205070532.db2.gz XBTWVVKEPQZCNG-VQIMIIECSA-N 1 0 372.896 3.888 1 0 FHAFRO COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2[N@H+](C)C1 ZINC000040374589 205067613 /nfs/dbraw/zinc/06/76/13/205067613.db2.gz ISVOYYWZUYYPHT-QSFXBCCZSA-N 1 0 352.478 3.889 1 0 FHAFRO CNC(=O)/C=C1/c2ccccc2-c2ccc(OCC[NH+]3CCCCC3)cc21 ZINC000040834365 205083109 /nfs/dbraw/zinc/08/31/09/205083109.db2.gz FDHFOTNTZGJRMO-JWGURIENSA-N 1 0 362.473 3.709 1 0 FHAFRO COC(C)(C)CCc1noc(-c2cc3c(cccc3CC[NH+](C)C)[nH]2)n1 ZINC000040566808 205071300 /nfs/dbraw/zinc/07/13/00/205071300.db2.gz LDKABOSDJWNKRP-UHFFFAOYSA-N 1 0 356.470 3.680 1 0 FHAFRO CC(C)(CO)[NH2+]Cc1coc2cccc(OCC3CCCCC3)c2c1=O ZINC000053314085 205191511 /nfs/dbraw/zinc/19/15/11/205191511.db2.gz YFTYZHMPFHEFCM-UHFFFAOYSA-N 1 0 359.466 3.613 1 0 FHAFRO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cnccn2)n1 ZINC000061898898 205287579 /nfs/dbraw/zinc/28/75/79/205287579.db2.gz KAMFAXAWGOPAQC-GFCCVEGCSA-N 1 0 365.384 3.938 3 0 FHAFRO COc1ccc(C[C@@H]([NH3+])c2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000061897994 205288464 /nfs/dbraw/zinc/28/84/64/205288464.db2.gz BMXZQMONHRITLV-MRXNPFEDSA-N 1 0 353.447 3.647 3 0 FHAFRO O=C1c2ccc(-c3ccc(F)cc3F)cc2CCN1CC[NH+]1CCCC1 ZINC000059113082 205279652 /nfs/dbraw/zinc/27/96/52/205279652.db2.gz GIHJOOARQXFDOP-UHFFFAOYSA-N 1 0 356.416 3.726 1 0 FHAFRO Cc1noc(C)c1C(=O)Nc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)cc1 ZINC000059263170 205280208 /nfs/dbraw/zinc/28/02/08/205280208.db2.gz QRBMQEJZPMHHQG-LIRRHRJNSA-N 1 0 368.481 3.607 1 0 FHAFRO C[NH+](C)CCN1C(=O)c2cccc3cc(-c4cccs4)cc(c32)C1=O ZINC000066259304 205365518 /nfs/dbraw/zinc/36/55/18/205365518.db2.gz ZXUDEOPFUOLYOH-UHFFFAOYSA-N 1 0 350.443 3.726 1 0 FHAFRO COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2[N@H+](C)C1 ZINC000169312743 206250643 /nfs/dbraw/zinc/25/06/43/206250643.db2.gz ISVOYYWZUYYPHT-CVAIRZPRSA-N 1 0 352.478 3.889 1 0 FHAFRO Cc1cc(Cl)cc2c(NCc3ccco3)nc(N3CC[NH+](C)CC3)nc12 ZINC000096903432 132226282 /nfs/dbraw/zinc/22/62/82/132226282.db2.gz YUZRGISUAJJLAM-UHFFFAOYSA-N 1 0 371.872 3.549 1 0 FHAFRO Cc1nn(C)c2nc3ccccc3c(N3CCCC[C@H]3CC[NH+](C)C)c12 ZINC000169331192 132261367 /nfs/dbraw/zinc/26/13/67/132261367.db2.gz LZBJFHVSDHJTFH-INIZCTEOSA-N 1 0 351.498 3.741 1 0 FHAFRO [NH3+]C[C@H]1CN(c2ccc3ccccc3n2)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312412 132261586 /nfs/dbraw/zinc/26/15/86/132261586.db2.gz OAQMJHUCAUVBIT-HOCLYGCPSA-N 1 0 367.399 3.608 1 0 FHAFRO O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1cc[nH+]cc1)CC2 ZINC000003955809 132386075 /nfs/dbraw/zinc/38/60/75/132386075.db2.gz WNQVJOXDWAOWHB-UHFFFAOYSA-N 1 0 353.441 3.744 1 0 FHAFRO Cc1c(CC[NH+]2CCN(c3ncccc3C)CC2)c2cccc3c2n1CCC3 ZINC000013740398 132870790 /nfs/dbraw/zinc/87/07/90/132870790.db2.gz VWZHQJKNCDQRCG-UHFFFAOYSA-N 1 0 374.532 3.964 1 0 FHAFRO Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(F)cc4)CC[N@@H+]3C2)cc1 ZINC000053275877 136124876 /nfs/dbraw/zinc/12/48/76/136124876.db2.gz YBGMRLZOHGQJTB-UZLBHIALSA-N 1 0 358.432 3.944 1 0 FHAFRO C[C@H]([NH3+])C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000001543428 204012000 /nfs/dbraw/zinc/01/20/00/204012000.db2.gz BLSRGJPGRJBHQK-YJBOKZPZSA-N 1 0 374.377 3.633 1 0 FHAFRO COc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](C)CC3)cc1C(F)(F)F ZINC000002005397 204023912 /nfs/dbraw/zinc/02/39/12/204023912.db2.gz HSAUNWQVISCPTB-UHFFFAOYSA-N 1 0 364.367 3.954 1 0 FHAFRO O=C(Oc1ccccc1)N1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000003956301 204116881 /nfs/dbraw/zinc/11/68/81/204116881.db2.gz VQYBYCNBKCIVKL-UHFFFAOYSA-N 1 0 365.477 3.959 1 0 FHAFRO O=C(C[NH+]1CCCCC1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000005594208 204217416 /nfs/dbraw/zinc/21/74/16/204217416.db2.gz DMHVIMVONPDXEQ-QHCPKHFHSA-N 1 0 374.488 3.523 1 0 FHAFRO CCCC[N@H+](CCNC(=O)NCc1noc2ccccc21)Cc1ccco1 ZINC000006860026 204277624 /nfs/dbraw/zinc/27/76/24/204277624.db2.gz HPHVXFNEBOEEPP-UHFFFAOYSA-N 1 0 370.453 3.522 1 0 FHAFRO C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc32)CC1 ZINC000013523593 204533790 /nfs/dbraw/zinc/53/37/90/204533790.db2.gz RUJUSCZEDDAGAW-UHFFFAOYSA-N 1 0 352.413 3.764 1 0 FHAFRO O=C1O[C@@H](Cn2cc[n+]3ccccc23)CC1(c1ccccc1)c1ccccc1 ZINC000013651188 204541370 /nfs/dbraw/zinc/54/13/70/204541370.db2.gz DMEZMQFKTRTUQC-OAQYLSRUSA-N 1 0 369.444 3.529 1 0 FHAFRO CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3cccc(OC)c32)C1(C)C ZINC000027441087 204862113 /nfs/dbraw/zinc/86/21/13/204862113.db2.gz MPNUBKWLWLDCCY-ICSRJNTNSA-N 1 0 354.470 3.827 1 0 FHAFRO CCOC1(OCC)[C@H]2c3cccc[n+]3[C@H](c3cccc(OC)c32)C1(C)C ZINC000027517900 204862364 /nfs/dbraw/zinc/86/23/64/204862364.db2.gz VFHUXKMKHQJWCZ-VQTJNVASSA-N 1 0 354.470 3.827 1 0 FHAFRO COc1cc(C[C@@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)cc(N)c1OC ZINC000026674429 204854276 /nfs/dbraw/zinc/85/42/76/204854276.db2.gz NORNTMDYRGYQNW-SFHVURJKSA-N 1 0 351.450 3.505 1 0 FHAFRO CCC(=O)Nc1cccc2c(OC[C@@H](O)[C@@H](C)[NH2+]C(C)(C)C)cccc12 ZINC000028768504 204888498 /nfs/dbraw/zinc/88/84/98/204888498.db2.gz ILFWZUZIDVBQIT-RDTXWAMCSA-N 1 0 358.482 3.705 1 0 FHAFRO CC(C)c1ccc(CS(=O)(=O)c2ccc([C@@]34C[C@@H]3C[NH2+]C4)cc2)cc1 ZINC000035309627 204988500 /nfs/dbraw/zinc/98/85/00/204988500.db2.gz BZKAUGWCSKECDP-CTNGQTDRSA-N 1 0 355.503 3.645 1 0 FHAFRO CC[N@H+](C)CCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c21 ZINC000039829612 205047869 /nfs/dbraw/zinc/04/78/69/205047869.db2.gz FWMIXTKPPHIFDD-UHFFFAOYSA-N 1 0 356.491 3.885 1 0 in-vitro FHAFRO C[C@H]1CCc2nc(CCC[N@H+]3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1 ZINC000040412889 205070665 /nfs/dbraw/zinc/07/06/65/205070665.db2.gz FHITVFDYWLZSRT-KRWDZBQOSA-N 1 0 363.505 3.617 1 0 FHAFRO C[C@]([NH3+])(CO)C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000040892669 205083817 /nfs/dbraw/zinc/08/38/17/205083817.db2.gz NKKSHQTTYVUPTP-QFIPXVFZSA-N 1 0 362.429 3.794 1 0 FHAFRO CC[NH+]1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1 ZINC000040937218 205084881 /nfs/dbraw/zinc/08/48/81/205084881.db2.gz HIJRHPJHLUTNER-UHFFFAOYSA-N 1 0 363.461 3.557 1 0 FHAFRO CC(C)[N@@H+]1CCC[C@H](c2ccc(-c3nc4c(cccc4C(N)=O)[nH]3)cc2)C1 ZINC000049070863 205168421 /nfs/dbraw/zinc/16/84/21/205168421.db2.gz QTONZRQJLGKQRC-KRWDZBQOSA-N 1 0 362.477 3.917 1 0 FHAFRO O=C(NCCCC[NH+]1CCCCC1)Nc1ccc(-c2ccccn2)nc1 ZINC000049054429 205168955 /nfs/dbraw/zinc/16/89/55/205168955.db2.gz SLMFOVKWAUVQPC-UHFFFAOYSA-N 1 0 353.470 3.531 1 0 FHAFRO COc1cccc2c1C[C@](CC[NH+](C)C)(c1ccc(Cl)cc1)N(C)C2=O ZINC000053244143 205191689 /nfs/dbraw/zinc/19/16/89/205191689.db2.gz NBJNYWWBLPKFAW-OAQYLSRUSA-N 1 0 372.896 3.824 1 0 FHAFRO COc1ccc(-c2coc3c2cccc3C(=O)NCC[NH+](C)C)c(C)c1 ZINC000061905413 205288235 /nfs/dbraw/zinc/28/82/35/205288235.db2.gz KKACOQCTBSRJJN-UHFFFAOYSA-N 1 0 352.434 3.708 3 0 FHAFRO Cc1ccc(-c2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)cc1 ZINC000066100147 205363593 /nfs/dbraw/zinc/36/35/93/205363593.db2.gz DRMQOLHJIFZIFO-UHFFFAOYSA-N 1 0 358.441 3.973 1 0 FHAFRO c1cncc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)c1 ZINC000073296385 205569413 /nfs/dbraw/zinc/56/94/13/205569413.db2.gz ANRYAIYMUARPOY-UHFFFAOYSA-N 1 0 363.465 3.740 1 0 FHAFRO CCCC(=O)Oc1ccc([C@@H](O)C[NH2+]C(C)(C)C)cc1OC(=O)CCC ZINC000148091464 206141361 /nfs/dbraw/zinc/14/13/61/206141361.db2.gz FADMUJOBNLZSGL-HNNXBMFYSA-N 1 0 365.470 3.519 1 0 FHAFRO O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCCC[C@@H]12 ZINC000169350240 206253556 /nfs/dbraw/zinc/25/35/56/206253556.db2.gz TYJSHDWVKFXKBY-UXHICEINSA-N 1 0 351.494 3.643 1 0 FHAFRO [NH3+]CCCN1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000049820757 221028369 /nfs/dbraw/zinc/02/83/69/221028369.db2.gz ORWYLXCPUPWKCU-FQEVSTJZSA-N 1 0 355.869 3.823 1 0 FHAFRO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@H]2Cc3occc3C(=O)C2)CC1 ZINC000003994230 204116755 /nfs/dbraw/zinc/11/67/55/204116755.db2.gz XFBPGUPMMWBWAS-CQSZACIVSA-N 1 0 355.409 3.759 1 0 FHAFRO C[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000004564895 204148322 /nfs/dbraw/zinc/14/83/22/204148322.db2.gz XEGOBYSRTDSXFT-QRWLVFNGSA-N 1 0 352.434 3.827 3 0 FHAFRO CCCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(OC)c(OC)c1)C2 ZINC000004356499 204135343 /nfs/dbraw/zinc/13/53/43/204135343.db2.gz MBUKBAGZJPOJON-AYHJJNSGSA-N 1 0 360.498 3.619 1 0 FHAFRO CC(C)COc1cccc(-c2nc3cc(Cl)c(C(N)=[NH2+])cc3[nH]2)c1O ZINC000005882031 204228266 /nfs/dbraw/zinc/22/82/66/204228266.db2.gz RTSLVPMQUZXPBZ-UHFFFAOYSA-N 1 0 358.829 3.908 1 0 in-vivo FHAFRO CCC[n+]1ccc(CCC(=O)[C@H]2Cc3cc(OC)c(OC)cc3S2)cc1 ZINC000028393400 204881058 /nfs/dbraw/zinc/88/10/58/204881058.db2.gz CRMOWQKTQGSOFA-OAQYLSRUSA-N 1 0 372.510 3.620 1 0 FHAFRO CC[NH+](CC)CCN1C(=O)c2cccc3c4sc(C)nc4cc(c32)C1=O ZINC000028477117 204882549 /nfs/dbraw/zinc/88/25/49/204882549.db2.gz NJQUNYNFNIHJGS-UHFFFAOYSA-N 1 0 367.474 3.696 1 0 FHAFRO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[NH2+]C2)C(F)F ZINC000036381550 205013308 /nfs/dbraw/zinc/01/33/08/205013308.db2.gz NRYSIYZIRHQJSQ-UHFFFAOYSA-N 1 0 365.430 3.874 3 0 FHAFRO CCN1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2 ZINC000038696264 205041322 /nfs/dbraw/zinc/04/13/22/205041322.db2.gz TXCJYBYVNMEZBY-HNNXBMFYSA-N 1 0 353.418 3.575 1 0 FHAFRO CCc1c2c(ccc(OC)c2OC)cc2[n+]1CCc1cc3c(cc1-2)OCO3 ZINC000039062451 205044932 /nfs/dbraw/zinc/04/49/32/205044932.db2.gz WTQSBAVXAARCGN-UHFFFAOYSA-N 1 0 364.421 3.659 1 0 FHAFRO COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2[N@H+](C)C1 ZINC000040374585 205068382 /nfs/dbraw/zinc/06/83/82/205068382.db2.gz ISVOYYWZUYYPHT-BPAFIMBUSA-N 1 0 352.478 3.889 1 0 FHAFRO C[C@H]1CN(C(=O)c2cn3c4c2cccc4OC[C@H]3C2CCCCC2)CC[NH2+]1 ZINC000058519668 205276115 /nfs/dbraw/zinc/27/61/15/205276115.db2.gz SSHVKILHGYEXEJ-KXBFYZLASA-N 1 0 367.493 3.589 1 0 FHAFRO C[NH+](C)CCCOC(=O)N=c1[nH]c2ccc(OC(F)(F)F)cc2s1 ZINC000084739899 205660096 /nfs/dbraw/zinc/66/00/96/205660096.db2.gz YACKXJGZAWFXPL-UHFFFAOYSA-N 1 0 363.361 3.695 1 0 FHAFRO C[NH+](C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000169356370 206254119 /nfs/dbraw/zinc/25/41/19/206254119.db2.gz TZYDTPVLMWSHME-PCKUUMOXSA-N 1 0 374.569 3.658 1 0 FHAFRO Cc1nn(CC(F)(F)F)c2nc3ccccc3c(NCCC[NH+](C)C)c12 ZINC000169329220 206251337 /nfs/dbraw/zinc/25/13/37/206251337.db2.gz PNUFDTLCCNIYEM-UHFFFAOYSA-N 1 0 365.403 3.819 1 0 FHAFRO O=C(Nc1ccccc1N1CC[NH2+]CC1)c1csc(-c2ccsc2)n1 ZINC000084671480 132199234 /nfs/dbraw/zinc/19/92/34/132199234.db2.gz FTFZFWKRKVYVER-UHFFFAOYSA-N 1 0 370.503 3.534 1 0 FHAFRO CCCn1c(-c2c[nH]c3ccccc23)nc2ccc(N3CC[NH+](C)CC3)nc21 ZINC000095581796 535577520 /nfs/dbraw/zinc/57/75/20/535577520.db2.gz RTUSIRUALAJMDG-UHFFFAOYSA-N 1 0 374.492 3.741 1 0 FHAFRO CC[N@@H+]1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3C[C@H]12 ZINC000013453892 581095509 /nfs/dbraw/zinc/09/55/09/581095509.db2.gz PVMNTYXKDFRXKP-UNMCSNQZSA-N 1 0 350.462 3.883 1 0 FHAFRO NC(=[NH2+])CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4ccc(O)cc4)cc3[C@H]12 ZINC000027517222 581097223 /nfs/dbraw/zinc/09/72/23/581097223.db2.gz SPTBONQCVLNHFD-LMNJBCLMSA-N 1 0 364.445 3.737 1 0 FHAFRO [NH3+][C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC1 ZINC000013982540 581099029 /nfs/dbraw/zinc/09/90/29/581099029.db2.gz VCOUEHUEFUDZIS-PMACEKPBSA-N 1 0 354.400 3.669 1 0 in-vivo FHAFRO COc1cc(CCc2cc(CO)c(CCCCCCC[NH3+])o2)ccc1O ZINC000085624455 291077243 /nfs/dbraw/zinc/07/72/43/291077243.db2.gz BRSQUAXCSLHICZ-UHFFFAOYSA-N 1 0 361.482 3.723 1 0 biogenic,in-vitro FHAFRO COc1ccc2c(c1)c1c(n2CC[NH+](C)C)-c2ccc(OC)cc2CC1 ZINC000001651453 204016974 /nfs/dbraw/zinc/01/69/74/204016974.db2.gz DCUZWYULPUJECK-UHFFFAOYSA-N 1 0 350.462 3.986 1 0 FHAFRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000003823289 204112206 /nfs/dbraw/zinc/11/22/06/204112206.db2.gz BLSRGJPGRJBHQK-MAUKXSAKSA-N 1 0 374.377 3.633 1 0 FHAFRO Cn1cccc1C(=O)N1CCC2(CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000003956379 204117221 /nfs/dbraw/zinc/11/72/21/204117221.db2.gz OCNRLXBEBVUSMS-UHFFFAOYSA-N 1 0 351.494 3.544 1 0 FHAFRO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000006788785 204270026 /nfs/dbraw/zinc/27/00/26/204270026.db2.gz ZSBFVJLQGRKZBT-SFHVURJKSA-N 1 0 361.869 3.505 3 0 FHAFRO CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000027899127 204871821 /nfs/dbraw/zinc/87/18/21/204871821.db2.gz MGFYCLMWDMGUQD-QZTJIDSGSA-N 1 0 350.890 3.584 1 0 FHAFRO c1ccc2nn(Cc3nc4ccccc4n3CC[NH+]3CCCCCC3)nc2c1 ZINC000026267548 204848544 /nfs/dbraw/zinc/84/85/44/204848544.db2.gz CIMBAGMHFCGUAD-UHFFFAOYSA-N 1 0 374.492 3.705 1 0 FHAFRO Oc1cc(O)c2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 ZINC000027109086 204859368 /nfs/dbraw/zinc/85/93/68/204859368.db2.gz ADHWXDCGFHSEMV-UGKGYDQZSA-O 1 0 372.400 3.996 1 0 FHAFRO Fc1ccc2[nH]cc(CC[NH2+][C@@H]3COc4ccc5ncccc5c4C3)c2c1 ZINC000028821552 204889929 /nfs/dbraw/zinc/88/99/29/204889929.db2.gz RWPZZHXGPZAEAQ-INIZCTEOSA-N 1 0 361.420 3.991 1 0 FHAFRO FC(F)(F)COc1ccccc1C[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000036093195 205002915 /nfs/dbraw/zinc/00/29/15/205002915.db2.gz APJFYUJBFNMVNI-SFHVURJKSA-N 1 0 364.411 3.817 1 0 FHAFRO O=C(NCc1ccc(Cl)c(Cl)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000036188075 205007524 /nfs/dbraw/zinc/00/75/24/205007524.db2.gz OQKKNYYDFMXMPE-UHFFFAOYSA-N 1 0 356.297 3.763 1 0 FHAFRO CC(C)(O)CC[NH+]1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000040431018 205070438 /nfs/dbraw/zinc/07/04/38/205070438.db2.gz AYUNNFKIGORBHC-UHFFFAOYSA-N 1 0 373.324 3.596 1 0 FHAFRO CCOc1ccc2cc3[n+](cc2c1OCC)CCc1cc2c(cc1-3)OCO2 ZINC000040877282 205083872 /nfs/dbraw/zinc/08/38/72/205083872.db2.gz ZPNBRTVNAKYAGJ-UHFFFAOYSA-N 1 0 364.421 3.877 1 0 FHAFRO CC(C)NC(=O)N1C[C@@H]2CC=C(c3ccc(CC[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000040892349 205084417 /nfs/dbraw/zinc/08/44/17/205084417.db2.gz CCBGUQREWCXYKL-RBBKRZOGSA-N 1 0 367.537 3.778 1 0 FHAFRO C[C@H](Oc1ccccc1Cl)C(=O)N(C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000040949623 205085092 /nfs/dbraw/zinc/08/50/92/205085092.db2.gz RRZBMLJADKLFNE-JKSUJKDBSA-N 1 0 358.869 3.893 1 0 FHAFRO C[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000040413562 205070871 /nfs/dbraw/zinc/07/08/71/205070871.db2.gz VBUBJABPLJFWFA-HZPDHXFCSA-N 1 0 358.869 3.893 1 0 FHAFRO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000045319455 205120133 /nfs/dbraw/zinc/12/01/33/205120133.db2.gz FIGDYIJYOZCGNZ-ZWKOTPCHSA-N 1 0 362.395 3.633 1 0 FHAFRO COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](c3cc(C)ccc3C)CN1CC2 ZINC000045368335 205120830 /nfs/dbraw/zinc/12/08/30/205120830.db2.gz ABNNSLREZPBYPJ-HKBOAZHASA-N 1 0 366.505 3.735 1 0 FHAFRO Cc1c(OS(=O)(=O)c2ccccc2Cl)cccc1C1CC[NH2+]CC1 ZINC000045483758 205122499 /nfs/dbraw/zinc/12/24/99/205122499.db2.gz RLAWPCJIPSZDAG-UHFFFAOYSA-N 1 0 365.882 3.883 1 0 FHAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1 ZINC000043204919 205101076 /nfs/dbraw/zinc/10/10/76/205101076.db2.gz PYUCVLVRHYGSER-YLJYHZDGSA-N 1 0 356.514 3.767 1 0 FHAFRO [NH3+][C@H]1Cn2c3cc(F)c(F)c(F)c3nc2C[C@@H]1c1cc(F)c(F)cc1F ZINC000043120238 205101476 /nfs/dbraw/zinc/10/14/76/205101476.db2.gz BVVMPTDXHTYJIV-KRTXAFLBSA-N 1 0 371.284 3.538 1 0 FHAFRO O=S(=O)(c1cn([C@H]2CCC[NH2+]C2)c2ccccc12)c1cccc(F)c1 ZINC000049032678 205167914 /nfs/dbraw/zinc/16/79/14/205167914.db2.gz ZDQCZXVTNASVOV-HNNXBMFYSA-N 1 0 358.438 3.538 1 0 FHAFRO COc1ccc2c(c1)CC(CC[NH+](C)C)=C2[C@@H](C)c1nccnc1OC ZINC000049112970 205170433 /nfs/dbraw/zinc/17/04/33/205170433.db2.gz AIGMIQVSRPRWAQ-CQSZACIVSA-N 1 0 353.466 3.559 1 0 FHAFRO CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000084688330 205658999 /nfs/dbraw/zinc/65/89/99/205658999.db2.gz NQPKFYTWQKOHLO-FQEVSTJZSA-N 1 0 365.477 3.544 1 0 FHAFRO COc1ccc2nc(C(F)(F)F)cc([C@@H](O)C[C@H]3CCCC[NH2+]3)c2c1 ZINC000169334021 206251311 /nfs/dbraw/zinc/25/13/11/206251311.db2.gz JBOMJJNUUWGZGW-BZNIZROVSA-N 1 0 354.372 3.828 1 0 FHAFRO O=C1Nc2ccc(F)cc2[C@@H]1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000101446233 132233938 /nfs/dbraw/zinc/23/39/38/132233938.db2.gz IBBIDLLHDNJIPV-IBGZPJMESA-N 1 0 367.468 3.854 1 0 FHAFRO Cc1ccnc2c1nc(N1CC[NH+](Cc3ccccc3)CC1)c1cccn12 ZINC000013762464 132871264 /nfs/dbraw/zinc/87/12/64/132871264.db2.gz ZHKBEFRQNFTOHD-UHFFFAOYSA-N 1 0 357.461 3.513 1 0 FHAFRO FC(F)(F)c1cccc(N2CC[NH+](CCc3ccc4[nH]cnc4c3)CC2)c1 ZINC000038544489 136118885 /nfs/dbraw/zinc/11/88/85/136118885.db2.gz NTHRQJJWSIUTOE-UHFFFAOYSA-N 1 0 374.410 3.946 1 0 FHAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(SCc2ccccc2)c(Cl)c1 ZINC000029219610 534962137 /nfs/dbraw/zinc/96/21/37/534962137.db2.gz CIWCAKCCJMNWMV-UHFFFAOYSA-N 1 0 373.913 3.818 1 0 FHAFRO C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O ZINC000013444381 581093971 /nfs/dbraw/zinc/09/39/71/581093971.db2.gz VHCWDBADFMDZND-QFYYESIMSA-N 1 0 368.412 3.926 1 0 FHAFRO Cc1noc(C)c1C(=O)N1CCC2(CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000004238051 204129075 /nfs/dbraw/zinc/12/90/75/204129075.db2.gz GQGFUTGKSKXFTG-UHFFFAOYSA-N 1 0 367.493 3.810 1 0 FHAFRO [NH3+]CCc1c[nH]c2ccc(CCCc3nc(Cc4ccccc4)no3)cc12 ZINC000013827461 204554195 /nfs/dbraw/zinc/55/41/95/204554195.db2.gz JTBDYCCVUAQYMO-UHFFFAOYSA-N 1 0 360.461 3.818 1 0 FHAFRO COc1cc(C[C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000026669521 204853820 /nfs/dbraw/zinc/85/38/20/204853820.db2.gz NDGFACWSBYSFHD-KRWDZBQOSA-N 1 0 352.434 3.623 1 0 FHAFRO O=S(=O)(c1cccc(Cl)c1)n1cc(C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000028524027 204884308 /nfs/dbraw/zinc/88/43/08/204884308.db2.gz IIOWDIVGDZDQHO-INIZCTEOSA-N 1 0 374.893 3.826 1 0 FHAFRO OC(c1cccnc1)(c1cccnc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000035900356 204999638 /nfs/dbraw/zinc/99/96/38/204999638.db2.gz VFOJZCCGUHQKDE-JOCHJYFZSA-N 1 0 359.473 3.940 1 0 FHAFRO O[C@](Cc1ccccc1-c1ccccc1)(c1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000036093126 205003903 /nfs/dbraw/zinc/00/39/03/205003903.db2.gz WGCRPMFFZVDRHS-BJKOFHAPSA-N 1 0 359.469 3.772 1 0 FHAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000036216169 205008303 /nfs/dbraw/zinc/00/83/03/205008303.db2.gz UMFWCDGSRAJLJX-FPOVZHCZSA-N 1 0 374.488 3.700 1 0 FHAFRO CNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000036221675 205008393 /nfs/dbraw/zinc/00/83/93/205008393.db2.gz SGHKXPYOPVKZJP-CZTZKLFOSA-N 1 0 354.494 3.873 1 0 in-vivo FHAFRO [NH3+]CCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000036382084 205013462 /nfs/dbraw/zinc/01/34/62/205013462.db2.gz UIWVSQZINWPFRZ-UHFFFAOYSA-N 1 0 354.679 3.853 1 0 FHAFRO CN1C(=O)[C@@H](C[NH+]2CCCCC2)C[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000040828897 205081110 /nfs/dbraw/zinc/08/11/10/205081110.db2.gz HTMFXDINJCEKDX-KDOFPFPSSA-N 1 0 372.900 3.735 1 0 FHAFRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](OC)Cc2sccc23)cc1 ZINC000040951673 205085332 /nfs/dbraw/zinc/08/53/32/205085332.db2.gz ZMPHVAHCGKMKJY-LJQANCHMSA-N 1 0 359.491 3.793 1 0 FHAFRO CNC(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C[NH+](C)C)c1 ZINC000040933525 205085340 /nfs/dbraw/zinc/08/53/40/205085340.db2.gz RMKQQVTXLRWNDV-UHFFFAOYSA-N 1 0 368.355 3.799 1 0 FHAFRO C[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000040414397 205070843 /nfs/dbraw/zinc/07/08/43/205070843.db2.gz PSEXTHONOJODRR-NVXWUHKLSA-N 1 0 358.869 3.893 1 0 FHAFRO CCOC(C(=O)OC[C@@H]1CCC[N@H+](C)C1)(c1ccccc1)c1ccccc1 ZINC000045231108 205119634 /nfs/dbraw/zinc/11/96/34/205119634.db2.gz XATPSNKTMXPJNE-LJQANCHMSA-N 1 0 367.489 3.852 1 0 FHAFRO COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cc(C)ccc3C)CN1CC2 ZINC000045368338 205122021 /nfs/dbraw/zinc/12/20/21/205122021.db2.gz ABNNSLREZPBYPJ-NJYVYQBISA-N 1 0 366.505 3.735 1 0 FHAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1 ZINC000049089194 205168674 /nfs/dbraw/zinc/16/86/74/205168674.db2.gz VXDULNMFVNRQBT-KBPBESRZSA-N 1 0 373.382 3.536 1 0 FHAFRO Fc1ccccc1[C@@H](Cc1ccccc1OC(F)F)N1CC[NH2+]CC1 ZINC000049035910 205169310 /nfs/dbraw/zinc/16/93/10/205169310.db2.gz FCEXIPULXFOGIW-QGZVFWFLSA-N 1 0 350.384 3.616 1 0 in-vitro FHAFRO [NH3+]CC[C@H](C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(Cl)c1 ZINC000063298353 205291924 /nfs/dbraw/zinc/29/19/24/205291924.db2.gz XYZNKCSDQRKAFR-ZDUSSCGKSA-N 1 0 363.248 3.941 1 0 FHAFRO [NH3+]CCNC(=O)c1nccc2c3ccccc3n(CCCc3ccccc3)c21 ZINC000064755074 205303352 /nfs/dbraw/zinc/30/33/52/205303352.db2.gz IPCVJRPTFODLGH-UHFFFAOYSA-N 1 0 372.472 3.511 1 0 FHAFRO Cc1ccc(-c2c(C(=O)NC3CC[NH+](C)CC3)cnn2-c2ccccc2)cc1 ZINC000058538418 205276794 /nfs/dbraw/zinc/27/67/94/205276794.db2.gz GBRVBCRCTKVVMJ-UHFFFAOYSA-N 1 0 374.488 3.672 1 0 FHAFRO CC(C)Nc1cc(-c2cc3cnccc3c(NCC(C)(C)[NH3+])n2)ccn1 ZINC000095563547 205788496 /nfs/dbraw/zinc/78/84/96/205788496.db2.gz RNYFYIRYVORHDX-UHFFFAOYSA-N 1 0 350.470 3.661 1 0 FHAFRO C[C@@H]1CCC[N@@H+]1CCCOc1ccc(C2=NN(C)C(=O)[C@H]3CCC[C@@H]23)cc1 ZINC000169351788 206253892 /nfs/dbraw/zinc/25/38/92/206253892.db2.gz GKEPUTPZCYQUOQ-AHRSYUTCSA-N 1 0 369.509 3.532 1 0 FHAFRO C[NH+]1CCN(c2nc3ccc(Cl)cc3c(NCc3ccccc3)n2)CC1 ZINC000040949263 136120640 /nfs/dbraw/zinc/12/06/40/136120640.db2.gz CBXQAAQVKDTXJJ-UHFFFAOYSA-N 1 0 367.884 3.647 1 0 FHAFRO COc1ccc([C@H]2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000100086261 536944681 /nfs/dbraw/zinc/94/46/81/536944681.db2.gz PQGLTWUOVHNAGW-KESTWPANSA-N 1 0 351.494 3.939 1 0 FHAFRO CC(C)[C@H]([NH3+])C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 ZINC000028572420 581095373 /nfs/dbraw/zinc/09/53/73/581095373.db2.gz PEUBMPVLEUTSNQ-PMACEKPBSA-N 1 0 372.415 3.621 1 0 FHAFRO O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000003775806 204110446 /nfs/dbraw/zinc/11/04/46/204110446.db2.gz ZVGFRYLMFAMUON-QGZVFWFLSA-N 1 0 354.416 3.725 1 0 FHAFRO CN1CC[NH+](C[C@@H](c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1 ZINC000022442363 204777961 /nfs/dbraw/zinc/77/79/61/204777961.db2.gz LGRZVDOIDOOMRO-SFHVURJKSA-N 1 0 370.459 3.732 1 0 in-vitro FHAFRO NNc1[nH+]c(N)nc2ccc(Sc3cccc(C(F)(F)F)c3)cc21 ZINC000026266610 204849162 /nfs/dbraw/zinc/84/91/62/204849162.db2.gz VFBGAOLHHNFNQD-UHFFFAOYSA-N 1 0 351.357 3.668 1 0 FHAFRO CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[NH3+])c1ccccc1 ZINC000028827199 204889826 /nfs/dbraw/zinc/88/98/26/204889826.db2.gz UMRBLTXFKIJESS-FQEVSTJZSA-N 1 0 357.404 3.556 1 0 FHAFRO C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC000029127796 204895800 /nfs/dbraw/zinc/89/58/00/204895800.db2.gz LWUYMBKCCILSCM-UNMCSNQZSA-N 1 0 360.505 3.655 1 0 FHAFRO Cc1nc2ccccc2c(=O)n1-c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000035683248 204997493 /nfs/dbraw/zinc/99/74/93/204997493.db2.gz PEXQMYKPVANJKN-UHFFFAOYSA-N 1 0 363.461 3.559 1 0 FHAFRO CCc1cccc([C@H]2CN3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@H]2[NH3+])c1 ZINC000038345434 205040711 /nfs/dbraw/zinc/04/07/11/205040711.db2.gz ZJBDICRKAFUJEV-NJYVYQBISA-N 1 0 366.505 3.680 1 0 FHAFRO C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000040423574 205070655 /nfs/dbraw/zinc/07/06/55/205070655.db2.gz BETCEOCHSYZOAW-FUHWJXTLSA-N 1 0 372.896 3.888 1 0 FHAFRO Cc1nn(-c2cc(C)ccn2)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000040896416 205084231 /nfs/dbraw/zinc/08/42/31/205084231.db2.gz AINIYOCWHWRKCA-UHFFFAOYSA-N 1 0 374.488 3.906 1 0 FHAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1c2ccccc2OCc2ncccc21 ZINC000040514680 205071238 /nfs/dbraw/zinc/07/12/38/205071238.db2.gz ATMKCXWXGQDJKI-JKSBSHDWSA-N 1 0 351.494 3.916 1 0 FHAFRO CCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@@H]1CCC[N@@H+]1CC ZINC000045321406 205120149 /nfs/dbraw/zinc/12/01/49/205120149.db2.gz JDTWWYUMTZWCLP-HNNXBMFYSA-N 1 0 371.481 3.706 1 0 FHAFRO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000045319447 205120500 /nfs/dbraw/zinc/12/05/00/205120500.db2.gz FIGDYIJYOZCGNZ-QZTJIDSGSA-N 1 0 362.395 3.633 1 0 FHAFRO C[NH2+]C[C@@H](O)[C@H](c1cccc(F)c1)N1CC2(CCCC2)c2ccccc21 ZINC000045391182 205121137 /nfs/dbraw/zinc/12/11/37/205121137.db2.gz CIFVOYDAPUOIEX-RTWAWAEBSA-N 1 0 354.469 3.779 1 0 FHAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccoc1 ZINC000043204904 205101331 /nfs/dbraw/zinc/10/13/31/205101331.db2.gz AHORHYFCKLAFIO-LPHOPBHVSA-N 1 0 353.466 3.903 1 0 FHAFRO CN(C)C(=O)Oc1cccc(-c2c[n+]3c(cccc3C(F)(F)F)n2C)c1 ZINC000049047810 205169163 /nfs/dbraw/zinc/16/91/63/205169163.db2.gz AARUDAJTDANRJK-UHFFFAOYSA-N 1 0 364.347 3.510 1 0 FHAFRO Fc1ccccc1[C@@H](Cc1ccccc1OC(F)(F)F)N1CC[NH2+]CC1 ZINC000049036227 205169321 /nfs/dbraw/zinc/16/93/21/205169321.db2.gz WARUECLCXNMKJR-QGZVFWFLSA-N 1 0 368.374 3.913 1 0 in-vivo FHAFRO Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1cccc(C[NH+]3CCCCC3)c1-2 ZINC000049109655 205169351 /nfs/dbraw/zinc/16/93/51/205169351.db2.gz QPEPHZDDNBFIFT-UHFFFAOYSA-N 1 0 370.456 3.923 1 0 FHAFRO CCC[N@@H+]1CCC[C@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049069268 205169492 /nfs/dbraw/zinc/16/94/92/205169492.db2.gz AVVYPTYKGGWLGP-HNNXBMFYSA-N 1 0 358.507 3.571 1 0 FHAFRO COc1cccc2c1C[C@@](CC[NH+](C)C)(c1ccc(Cl)cc1)N(C)C2=O ZINC000053244141 205192669 /nfs/dbraw/zinc/19/26/69/205192669.db2.gz NBJNYWWBLPKFAW-NRFANRHFSA-N 1 0 372.896 3.824 1 0 FHAFRO O=S(=O)(Cc1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000064274680 205297244 /nfs/dbraw/zinc/29/72/44/205297244.db2.gz RHMLLIYDUFMDOX-NRFANRHFSA-N 1 0 372.534 3.723 1 0 FHAFRO O=S(=O)(Cc1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000058511798 205275832 /nfs/dbraw/zinc/27/58/32/205275832.db2.gz RHMLLIYDUFMDOX-OAQYLSRUSA-N 1 0 372.534 3.723 1 0 FHAFRO COc1cc2c(cc1OC)[C@H]1C[C@H]([NH2+]CCF)[C@H](CC(C)C)CN1CC2 ZINC000058480574 205275898 /nfs/dbraw/zinc/27/58/98/205275898.db2.gz YMERYCTWSIREBR-NZSAHSFTSA-N 1 0 364.505 3.597 1 0 FHAFRO CC(C)c1cccnc1CN(CCCC[NH3+])Cc1nc2ccccc2[nH]1 ZINC000066076852 205362345 /nfs/dbraw/zinc/36/23/45/205362345.db2.gz RPGVVLBYYWOFGM-UHFFFAOYSA-N 1 0 351.498 3.822 1 0 FHAFRO C[C@H](CC[NH3+])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118919894 206103600 /nfs/dbraw/zinc/10/36/00/206103600.db2.gz PEAFVGSJDSBIIY-RAXVYBNDSA-N 1 0 363.586 3.962 1 0 FHAFRO O=C([O-])CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@H](C[NH+]1Cc1cccc(F)c1)[C@@H]23 ZINC000169333610 206252332 /nfs/dbraw/zinc/25/23/32/206252332.db2.gz KBQRSCLEPBFVGC-RQGSJKACSA-N 1 0 374.500 3.755 1 0 FHAFRO Nc1nccn2c([C@H]3CC[C@H](C[NH3+])CC3)nc(-c3cc4ccccc4[nH]3)c12 ZINC000102842035 209242271 /nfs/dbraw/zinc/24/22/71/209242271.db2.gz BSCFXRGIRSAPIO-OKILXGFUSA-N 1 0 360.465 3.692 1 0 FHAFRO COc1ccc([C@H]2C=C(NCC[NH+](C)C)c3cc(F)ccc3N2)c(F)c1 ZINC000101426657 209226136 /nfs/dbraw/zinc/22/61/36/209226136.db2.gz NXXOPCWBNIOPNC-HXUWFJFHSA-N 1 0 359.420 3.632 1 0 FHAFRO Cc1c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cccc1C(N)=O ZINC000101363780 209225334 /nfs/dbraw/zinc/22/53/34/209225334.db2.gz MCFXYDVDYPKNHH-BWTSREIZSA-N 1 0 350.462 3.668 1 0 FHAFRO CC(C)[C@H]1CC[C@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 ZINC000100852710 209218832 /nfs/dbraw/zinc/21/88/32/209218832.db2.gz AYIPPDCLGFAXBJ-KDURUIRLSA-N 1 0 355.526 3.630 1 0 FHAFRO COc1cccc(-c2ccc([C@@H]3[C@@H]4CN(Cc5ccccn5)C[C@H]3[NH2+]4)cc2)c1 ZINC000100108504 209209253 /nfs/dbraw/zinc/20/92/53/209209253.db2.gz NGRUIDFBRMTHCY-UBRQYEGLSA-N 1 0 371.484 3.697 1 0 FHAFRO Cc1nc(-c2ccc[n+](Cc3ccccc3)c2)n2c1c(=O)[nH]c1ccccc12 ZINC000096911154 209161998 /nfs/dbraw/zinc/16/19/98/209161998.db2.gz YMMDLBVILMMCQD-UHFFFAOYSA-O 1 0 367.432 3.899 1 0 FHAFRO CC1(C)CCCc2cc(Cl)cc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c2O1 ZINC000003800298 206988687 /nfs/dbraw/zinc/98/86/87/206988687.db2.gz JADVZCOADCMTQF-QGZVFWFLSA-N 1 0 362.901 3.658 1 0 FHAFRO CC[C@@H](C)OC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccccc1)[C@@H](C)N2 ZINC000006411773 207138777 /nfs/dbraw/zinc/13/87/77/207138777.db2.gz WVXFSVJFLMMMFT-VXGBXAGGSA-N 1 0 353.426 3.946 1 0 FHAFRO C/C=C(\C)C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2 ZINC000011711634 207320315 /nfs/dbraw/zinc/32/03/15/207320315.db2.gz AMOFWXXTBJPKPC-HVRLMCRZSA-N 1 0 358.526 3.958 1 0 FHAFRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000013743277 207482749 /nfs/dbraw/zinc/48/27/49/207482749.db2.gz LTBWJTYKXRWIJQ-MRXNPFEDSA-N 1 0 351.277 3.902 1 0 FHAFRO CC(C)[NH+](CC[C@@]1(c2ccccc2)C(=O)N[C@@H](C)N2CCCC[C@@H]21)C(C)C ZINC000034079782 208102535 /nfs/dbraw/zinc/10/25/35/208102535.db2.gz FEKYBEXKIPSLIU-LSWJPFSZSA-N 1 0 371.569 3.764 1 0 FHAFRO CCCCC[C@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N@@H+]3C)[C@@H](O5)C1=O ZINC000040670881 208261653 /nfs/dbraw/zinc/26/16/53/208261653.db2.gz OMZWQYNMKBPQOL-RIWFRRHWSA-N 1 0 369.505 3.740 1 0 FHAFRO Fc1ccc([C@H]2[NH+]=C(N3CCOCC3)NC3=C2CCc2ccccc23)cc1 ZINC000045254932 208329532 /nfs/dbraw/zinc/32/95/32/208329532.db2.gz OZNDKOIZAIPFGG-HXUWFJFHSA-N 1 0 363.436 3.516 1 0 FHAFRO CCCCc1ccc(S(=O)(=O)Cc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000048998305 208411754 /nfs/dbraw/zinc/41/17/54/208411754.db2.gz MTCMNJMYZJEHTM-UHFFFAOYSA-N 1 0 357.519 3.691 1 0 FHAFRO NC(=O)O[C@@H](CC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000095572067 132215474 /nfs/dbraw/zinc/21/54/74/132215474.db2.gz WBSQSZXEXGMKDF-IBGZPJMESA-N 1 0 373.884 3.689 1 0 FHAFRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccccc1 ZINC000095587335 209083852 /nfs/dbraw/zinc/08/38/52/209083852.db2.gz QPDAFPVNIOVXCG-HXUWFJFHSA-N 1 0 363.465 3.891 1 0 FHAFRO CC(C)(C)c1cnc(CSc2cnc(NC3CC[NH2+]CC3)s2)o1 ZINC000040379028 581091745 /nfs/dbraw/zinc/09/17/45/581091745.db2.gz JQERPJPPYOGLLF-UHFFFAOYSA-N 1 0 352.529 3.885 1 0 FHAFRO COc1ncc(-c2cc3c(C)nc(N)cc3n(C3CCCC3)c2=O)cc1F ZINC000103260627 209250885 /nfs/dbraw/zinc/25/08/85/209250885.db2.gz WAKLEFTXKDORMM-UHFFFAOYSA-N 1 0 368.412 3.612 1 0 FHAFRO COc1cccc2[nH]c3c(ccnc3[C@H]3[C@H](C(C)(C)O)CC[C@]3(C)O)c21 ZINC000103250827 209249946 /nfs/dbraw/zinc/24/99/46/209249946.db2.gz DJJGELHJLSQCQK-PJUBBZNESA-N 1 0 354.450 3.740 1 0 FHAFRO Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C(N)=O)c1)C2 ZINC000101366362 209224952 /nfs/dbraw/zinc/22/49/52/209224952.db2.gz IQNJFMKUOZAASF-CEQLMSFQSA-N 1 0 350.462 3.668 1 0 FHAFRO COc1cccc(-c2ccc3cccc4c3c2C(=O)N(CC[NH+](C)C)C4=O)c1 ZINC000096939250 209164717 /nfs/dbraw/zinc/16/47/17/209164717.db2.gz KGHDCOAISNPDHA-UHFFFAOYSA-N 1 0 374.440 3.673 1 0 FHAFRO CCCn1c2nc(C)nc(N[C@H](C)C[NH+](C)C)c2nc1-c1ccc(F)cc1 ZINC000007991788 207215443 /nfs/dbraw/zinc/21/54/43/207215443.db2.gz PFONNTWOBHORTG-CYBMUJFWSA-N 1 0 370.476 3.713 1 0 FHAFRO C[NH+](C)CCN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 ZINC000012671596 207406588 /nfs/dbraw/zinc/40/65/88/207406588.db2.gz TZYDTPVLMWSHME-ULGHJEHQSA-N 1 0 374.569 3.658 1 0 FHAFRO Clc1ccc2c(c1)C(=NCC[NH+]1CCCCC1)Nc1cccnc1N2 ZINC000013492094 207463553 /nfs/dbraw/zinc/46/35/53/207463553.db2.gz XJFLPPCWHZCRPU-UHFFFAOYSA-N 1 0 355.873 3.946 1 0 FHAFRO [NH3+]C1CCN(C(=O)CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013585484 207472055 /nfs/dbraw/zinc/47/20/55/207472055.db2.gz MTOMEIDJINPCIW-UHFFFAOYSA-N 1 0 358.432 3.827 1 0 FHAFRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000013743276 207484403 /nfs/dbraw/zinc/48/44/03/207484403.db2.gz IBIJVXMFUOIWEP-INIZCTEOSA-N 1 0 350.384 3.614 1 0 FHAFRO c1cnc(NCCC[NH2+]CC23CC(c4ccccc42)c2ccccc23)nc1 ZINC000029475881 207991994 /nfs/dbraw/zinc/99/19/94/207991994.db2.gz UKWCIYZLSOGDMO-UHFFFAOYSA-N 1 0 356.473 3.704 1 0 FHAFRO [NH3+]CCCN(C(=O)/C=C/c1c[nH]c2ccccc12)[C@H]1CCc2ccccc2C1 ZINC000028825863 207976527 /nfs/dbraw/zinc/97/65/27/207976527.db2.gz HYJZEWJCAKFIFB-KONDSOJQSA-N 1 0 373.500 3.916 1 0 FHAFRO COc1ccc2c(c1)[C@@]13CC[N@H+](CC4CC4)[C@@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3 ZINC000029216570 207984604 /nfs/dbraw/zinc/98/46/04/207984604.db2.gz QKEMXTZZPULBCH-SBGJMSNXSA-N 1 0 353.506 3.835 1 0 FHAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]2CO ZINC000034891958 208113368 /nfs/dbraw/zinc/11/33/68/208113368.db2.gz DHPAYGMVHAIWBY-BQJUDKOJSA-N 1 0 373.443 3.914 1 0 FHAFRO C[C@H]1C[N@@H+]2C[C@@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075246 208120209 /nfs/dbraw/zinc/12/02/09/208120209.db2.gz FYKCIOAYMLTGHC-UOAUAQBLSA-N 1 0 350.506 3.575 1 0 FHAFRO C[NH2+]CCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000038459316 208203727 /nfs/dbraw/zinc/20/37/27/208203727.db2.gz NFSWESOWDXVPBY-FQEVSTJZSA-N 1 0 363.509 3.837 1 0 FHAFRO CCCOc1cc2cc3[n+](cc2cc1OC)CCc1cc2c(cc1-3)OCO2 ZINC000040876365 208273372 /nfs/dbraw/zinc/27/33/72/208273372.db2.gz WTHGUPWUXAAMAX-UHFFFAOYSA-N 1 0 364.421 3.877 1 0 FHAFRO CCc1ccc(S(=O)(=O)Oc2cccc(C3CC[NH2+]CC3)c2C)cc1 ZINC000040937943 208276170 /nfs/dbraw/zinc/27/61/70/208276170.db2.gz WZAUTVLYMJAUGI-UHFFFAOYSA-N 1 0 359.491 3.792 1 0 FHAFRO O=c1[nH]c2cc(F)ccc2n1-c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000040975197 208278290 /nfs/dbraw/zinc/27/82/90/208278290.db2.gz ISXMEUJPFFXKGZ-UHFFFAOYSA-N 1 0 369.440 3.713 1 0 FHAFRO C[N@@H+]1CCc2cc3ccn(S(=O)(=O)c4cccc(Cl)c4)c3cc2CC1 ZINC000040402866 208250505 /nfs/dbraw/zinc/25/05/05/208250505.db2.gz AKBRLFXEFQHICT-UHFFFAOYSA-N 1 0 374.893 3.562 1 0 FHAFRO CCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@H]1CCC[N@@H+]1CC ZINC000045321402 208330119 /nfs/dbraw/zinc/33/01/19/208330119.db2.gz JDTWWYUMTZWCLP-OAHLLOKOSA-N 1 0 371.481 3.706 1 0 FHAFRO CCC[N@@H+]1CCc2cc3sc(=O)n(C)c3cc2[C@@H]1c1cccc(OC)c1 ZINC000045347393 208332535 /nfs/dbraw/zinc/33/25/35/208332535.db2.gz DUOFEVDVQQKFMG-FQEVSTJZSA-N 1 0 368.502 3.966 1 0 FHAFRO COc1cc2c(cc1OC)[C@H](Cc1cc(=O)oc3ccc(C)cc13)[NH2+]CC2 ZINC000064564656 208616387 /nfs/dbraw/zinc/61/63/87/208616387.db2.gz BZHDMFUQKIWBBZ-SFHVURJKSA-N 1 0 365.429 3.548 1 0 FHAFRO O=C(c1cccc(F)c1)N1CCC2(CCCN(c3cc[nH+]cc3)C2)CC1 ZINC000003956075 132386045 /nfs/dbraw/zinc/38/60/45/132386045.db2.gz NLWKFQOXAGNVJF-UHFFFAOYSA-N 1 0 353.441 3.744 1 0 FHAFRO C[C@H](O)CNc1cc(-n2c3ccccc3nc2-c2cccc(O)c2)cc[nH+]1 ZINC000095587611 209083324 /nfs/dbraw/zinc/08/33/24/209083324.db2.gz AEVXBTIKHBFACQ-AWEZNQCLSA-N 1 0 360.417 3.586 1 0 FHAFRO C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C[C@@H]2C[C@@H]2C(N)=[NH+]1 ZINC000095920554 209086421 /nfs/dbraw/zinc/08/64/21/209086421.db2.gz MELPDVINWCDKRF-JXBWDGJFSA-N 1 0 372.831 3.739 1 0 in-vitro FHAFRO COc1ccc(C(=O)N2CCC3(CC2)CCN(c2cc[nH+]cc2)CC3)cc1 ZINC000003955817 536713360 /nfs/dbraw/zinc/71/33/60/536713360.db2.gz KPILUSAHPYZUAU-UHFFFAOYSA-N 1 0 365.477 3.613 1 0 FHAFRO Nc1[nH]c2cc3c(cc2[nH+]1)N(Cc1ccc2cc(CO)ccc2c1)CCC3 ZINC000013451089 581096595 /nfs/dbraw/zinc/09/65/95/581096595.db2.gz SLCHNYIKJBZPFO-UHFFFAOYSA-N 1 0 358.445 3.743 1 0 FHAFRO Cc1cc2nc([C@@H]3CCCO3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C ZINC000103247290 209249554 /nfs/dbraw/zinc/24/95/54/209249554.db2.gz YZUAKSJUXZOMNM-SFHVURJKSA-N 1 0 374.448 3.601 1 0 FHAFRO Cc1ccccc1CN1CC[C@@H](O)[C@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000096900124 209160702 /nfs/dbraw/zinc/16/07/02/209160702.db2.gz CCTPGUQMKQKYAJ-DNQXCXABSA-N 1 0 364.533 3.810 1 0 FHAFRO CO[C@@H]1CC[C@H]2CN(CCc3ccccc3)[C@@H]1C[N@@H+]2Cc1ccccc1 ZINC000096318626 209150683 /nfs/dbraw/zinc/15/06/83/209150683.db2.gz WYUPWHUGPAKEOJ-YTFSRNRJSA-N 1 0 350.506 3.593 1 0 FHAFRO O=C1Nc2ccc(F)c3c2c1c(-c1ccc[nH]1)cc3S[C@H]1CC[NH2+]C1 ZINC000003816605 206990896 /nfs/dbraw/zinc/99/08/96/206990896.db2.gz UZVLKAPGUJAQCL-JTQLQIEISA-N 1 0 353.422 3.994 1 0 FHAFRO Cc1nc2ccccc2c2oc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc21 ZINC000004902792 207059556 /nfs/dbraw/zinc/05/95/56/207059556.db2.gz UTJCXGBYVFOGTA-AWEZNQCLSA-N 1 0 351.450 3.894 3 0 FHAFRO CCCCCC(=O)NCCC[N@@H+]1CCC[C@H]1CC(=O)c1c(C)cccc1O ZINC000005820108 207117174 /nfs/dbraw/zinc/11/71/74/207117174.db2.gz LZFMYZNYVOKFEE-SFHVURJKSA-N 1 0 374.525 3.824 1 0 in-vivo FHAFRO CN1C[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H]([NH+](C)C)CC[C@@]54C)[C@@H]2CC[C@@H]3C1=O ZINC000013983249 207493997 /nfs/dbraw/zinc/49/39/97/207493997.db2.gz PQSIXDAWRTXGGA-SFXHKCFJSA-N 1 0 356.554 3.948 1 0 FHAFRO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H]([C@@H](O)C[C@H]3CCC(C)(C)[N@@H+]3C)[C@@H]12 ZINC000028367265 207962586 /nfs/dbraw/zinc/96/25/86/207962586.db2.gz MSKMNIYJSITCIE-XSWYFRFISA-N 1 0 363.542 3.614 1 0 FHAFRO C[NH+](C)CCc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000028883985 207977977 /nfs/dbraw/zinc/97/79/77/207977977.db2.gz IHKBLWSLQOSEAB-UHFFFAOYSA-N 1 0 362.882 3.636 1 0 FHAFRO CC[C@@H](C)[N@@H+](C[C@H](O)CNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000040933581 208274446 /nfs/dbraw/zinc/27/44/46/208274446.db2.gz CMUQIECDLISBIR-SOLBZPMBSA-N 1 0 359.514 3.915 1 0 FHAFRO C[NH2+]CC(C)(C)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045201943 208327051 /nfs/dbraw/zinc/32/70/51/208327051.db2.gz NMBPQRBUHVFQLX-UHFFFAOYSA-N 1 0 356.857 3.995 1 0 FHAFRO CCCNC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000061898515 208599993 /nfs/dbraw/zinc/59/99/93/208599993.db2.gz OBMIGJGMENFUSG-JOCHJYFZSA-N 1 0 351.494 3.877 3 0 FHAFRO O[C@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000169334385 132261508 /nfs/dbraw/zinc/26/15/08/132261508.db2.gz PPOROOFLUNLTLP-XZOQPEGZSA-N 1 0 359.473 3.679 1 0 FHAFRO FC(F)(F)c1nc2c(cccc2N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000026579142 136153241 /nfs/dbraw/zinc/15/32/41/136153241.db2.gz PSWUORNVMIRUSW-UHFFFAOYSA-N 1 0 360.383 3.904 1 0 FHAFRO CCOc1cc2c(cc1OC)CC[n+]1cc3c(ccc(OC)c3OC)cc1-2 ZINC000095566198 209081022 /nfs/dbraw/zinc/08/10/22/209081022.db2.gz FJTOHAVQIXFCON-UHFFFAOYSA-N 1 0 366.437 3.775 1 0 FHAFRO C[NH+](C)CCOc1cc(N)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1 ZINC000095573502 209081961 /nfs/dbraw/zinc/08/19/61/209081961.db2.gz FODYGLVSIXDICS-UHFFFAOYSA-N 1 0 373.460 3.815 1 0 FHAFRO Nc1nc(-c2ccco2)nc2sc(C[NH+]3CCC(F)(F)CC3)cc21 ZINC000118594462 209348721 /nfs/dbraw/zinc/34/87/21/209348721.db2.gz FQKBLTSUJQOBHC-UHFFFAOYSA-N 1 0 350.394 3.765 1 0 FHAFRO O=c1cc(-c2ccc(Cl)cc2)oc2ccc(CN3CC[NH2+]CC3)cc12 ZINC000103217755 209247702 /nfs/dbraw/zinc/24/77/02/209247702.db2.gz FBZWEXLWZMHUMB-UHFFFAOYSA-N 1 0 354.837 3.519 1 0 FHAFRO Cc1ccccc1C=C1C[NH2+]CC2C1=NC(=S)N[C@H]2c1ccccc1C ZINC000101679970 209229448 /nfs/dbraw/zinc/22/94/48/209229448.db2.gz KPMRONTYOPQSJD-RKPWUKJMSA-N 1 0 361.514 3.763 1 0 FHAFRO Cc1[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2c1C1=CC[NH2+]CC1 ZINC000096910226 209162070 /nfs/dbraw/zinc/16/20/70/209162070.db2.gz JRMPOFCGXCFNRD-UHFFFAOYSA-N 1 0 367.474 3.654 1 0 FHAFRO CCc1ccc(N2CCC3(CC[NH+](Cc4ncccc4C)CC3)C2=O)cc1 ZINC000096286139 209149917 /nfs/dbraw/zinc/14/99/17/209149917.db2.gz KUPRTJHTZJLKLG-UHFFFAOYSA-N 1 0 363.505 3.972 1 0 FHAFRO Nc1cccc(-c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC000006101211 207129254 /nfs/dbraw/zinc/12/92/54/207129254.db2.gz FVIZXTHHNZRGNE-QHCPKHFHSA-N 1 0 371.484 3.940 1 0 FHAFRO CCC(=O)N(c1c(F)c(F)c(F)c(F)c1F)[C@H]1CCC[C@H]1[NH+](C)C ZINC000028239352 207954193 /nfs/dbraw/zinc/95/41/93/207954193.db2.gz SAIDPJNHMVNROB-BDAKNGLRSA-N 1 0 350.331 3.608 1 0 FHAFRO Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@H]3CCC[NH2+]C3)c2c1 ZINC000034803968 208110931 /nfs/dbraw/zinc/11/09/31/208110931.db2.gz GGKQOYXYJRAAKR-AWEZNQCLSA-N 1 0 373.460 3.544 1 0 FHAFRO FC(F)(F)COc1ccccc1C[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000036093194 208144214 /nfs/dbraw/zinc/14/42/14/208144214.db2.gz APJFYUJBFNMVNI-GOSISDBHSA-N 1 0 364.411 3.817 1 0 FHAFRO O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000036188126 208149091 /nfs/dbraw/zinc/14/90/91/208149091.db2.gz XQFXLJDPFTYLOR-AWEZNQCLSA-N 1 0 356.297 3.763 1 0 FHAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000039241326 208207278 /nfs/dbraw/zinc/20/72/78/208207278.db2.gz FMXKXXYQOVKYOH-GOSISDBHSA-N 1 0 365.477 3.872 1 0 FHAFRO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000039241325 208209190 /nfs/dbraw/zinc/20/91/90/208209190.db2.gz FMXKXXYQOVKYOH-SFHVURJKSA-N 1 0 365.477 3.872 1 0 FHAFRO Cc1nn(-c2ccccc2)nc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000040861000 208273165 /nfs/dbraw/zinc/27/31/65/208273165.db2.gz VLDLYRMTWOLNSF-UHFFFAOYSA-N 1 0 360.461 3.597 1 0 FHAFRO COc1cc2c(cc1OC)C(=O)[C@H](Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000040901037 208273991 /nfs/dbraw/zinc/27/39/91/208273991.db2.gz XMCHSNBMJUOVNZ-LJQANCHMSA-N 1 0 365.473 3.897 1 0 FHAFRO CC[N@H+](C)Cc1ccc(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040914509 208275134 /nfs/dbraw/zinc/27/51/34/208275134.db2.gz LQLHQUVZQVHQBV-SFHVURJKSA-N 1 0 353.462 3.753 1 0 FHAFRO CC(C)C[NH2+][C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O ZINC000040953785 208276979 /nfs/dbraw/zinc/27/69/79/208276979.db2.gz XGGQFGANUIXDHD-NQBGTIOHSA-N 1 0 363.586 3.975 1 0 FHAFRO C[N@H+]1Cc2c(NC(=O)CN3CCCCC3)cccc2[C@H](c2ccccc2)C1 ZINC000040505774 208254264 /nfs/dbraw/zinc/25/42/64/208254264.db2.gz XBYQSNVYDGQAQP-FQEVSTJZSA-N 1 0 363.505 3.688 1 0 FHAFRO CC[C@@H]1CC(=O)C[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 ZINC000040663126 208260780 /nfs/dbraw/zinc/26/07/80/208260780.db2.gz KRRDPQUROQJNSW-HKDUHGGJSA-N 1 0 353.506 3.979 1 0 FHAFRO CNC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045371368 208332258 /nfs/dbraw/zinc/33/22/58/208332258.db2.gz IPIVVFVBOCKVJN-OAHLLOKOSA-N 1 0 369.446 3.661 1 0 FHAFRO COc1cccc([C@H](O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1OC ZINC000045498482 208333611 /nfs/dbraw/zinc/33/36/11/208333611.db2.gz ACARRFRVNJRYJL-HXUWFJFHSA-N 1 0 359.441 3.789 1 0 FHAFRO O=S(=O)(c1cn([C@@H]2CC[NH2+]C2)c2ccccc12)c1cccc(Cl)c1 ZINC000049114508 208415831 /nfs/dbraw/zinc/41/58/31/208415831.db2.gz IYJZDLOAWKCXJN-CQSZACIVSA-N 1 0 360.866 3.662 1 0 FHAFRO [NH2+]=C1N[C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)C[C@@H]2CCS1 ZINC000095589211 209083763 /nfs/dbraw/zinc/08/37/63/209083763.db2.gz WQDXYYJHDFSNIX-SGTLLEGYSA-N 1 0 372.881 3.654 1 0 FHAFRO O=C([C@@H]1C[NH2+]C[C@]12CCCc1ccccc12)N1CCC(c2ccccc2)CC1 ZINC000073219497 221561913 /nfs/dbraw/zinc/56/19/13/221561913.db2.gz FZLFVGHMYNWCLJ-ZCYQVOJMSA-N 1 0 374.528 3.886 1 0 FHAFRO C[C@@H]([NH2+]CCN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000141873125 209378733 /nfs/dbraw/zinc/37/87/33/209378733.db2.gz DSYATMXSWLOIRO-RGEHTICMSA-N 1 0 362.602 3.943 1 0 FHAFRO Cc1ccc(NC(=O)Cn2[nH+]cc3c4ccccc4nc-3c2O)cc1Cl ZINC000101787072 209230700 /nfs/dbraw/zinc/23/07/00/209230700.db2.gz IYOMJATWCMIQFS-UHFFFAOYSA-N 1 0 366.808 3.842 1 0 FHAFRO Cc1ccccc1C=C1C[NH2+]CC2C1=NC(=S)N[C@@H]2c1ccccc1C ZINC000101679967 209229201 /nfs/dbraw/zinc/22/92/01/209229201.db2.gz KPMRONTYOPQSJD-KDHISYJLSA-N 1 0 361.514 3.763 1 0 FHAFRO COc1ccc(-c2ccc3cccc4c3c2C(=O)N(CC[NH+](C)C)C4=O)cc1 ZINC000096939251 209164435 /nfs/dbraw/zinc/16/44/35/209164435.db2.gz FKGWCTATQZOLGU-UHFFFAOYSA-N 1 0 374.440 3.673 1 0 FHAFRO COc1ccccc1-c1cc2cccc3c2c(c1)C(=O)N(CC[NH+](C)C)C3=O ZINC000096939252 209164091 /nfs/dbraw/zinc/16/40/91/209164091.db2.gz AOGXDFPBSHYUJB-UHFFFAOYSA-N 1 0 374.440 3.673 1 0 FHAFRO COc1ccc(C[C@@H]2[NH2+]CCc3c4cc(F)cc(F)c4[nH]c32)cc1OC ZINC000026674452 207920086 /nfs/dbraw/zinc/92/00/86/207920086.db2.gz HGPUOFMXABMTJJ-INIZCTEOSA-N 1 0 358.388 3.893 1 0 FHAFRO CCOC1(OCC)[C@@H]2c3cc(OC)ccc3[C@@H]([n+]3ccccc32)C1(C)C ZINC000027517567 207931184 /nfs/dbraw/zinc/93/11/84/207931184.db2.gz AIUHBWFVRAAPLW-WOJBJXKFSA-N 1 0 354.470 3.827 1 0 FHAFRO CN(CCC[NH3+])C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 ZINC000028571688 207968016 /nfs/dbraw/zinc/96/80/16/207968016.db2.gz QRNZXNUHQIYSQV-FQEVSTJZSA-N 1 0 371.431 3.806 1 0 FHAFRO C[NH+](C)C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000033982741 208102608 /nfs/dbraw/zinc/10/26/08/208102608.db2.gz KHHBNVFVJFKYIK-LLVKDONJSA-N 1 0 352.278 3.867 1 0 FHAFRO FC(F)(F)Oc1ccccc1C[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000036093230 208144348 /nfs/dbraw/zinc/14/43/48/208144348.db2.gz GYZLMHZBYPNULH-KRWDZBQOSA-N 1 0 350.384 3.774 1 0 in-vitro FHAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1ccc2ccccc2c1 ZINC000036330266 208153888 /nfs/dbraw/zinc/15/38/88/208153888.db2.gz KKCNWLZCSPGJEJ-UHFFFAOYSA-N 1 0 362.501 3.740 1 0 FHAFRO CC[C@H](C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC000036351245 208156978 /nfs/dbraw/zinc/15/69/78/208156978.db2.gz DLSQXSJVRSSPFW-ZYSHUDEJSA-N 1 0 365.949 3.574 1 0 FHAFRO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 ZINC000045191765 208328320 /nfs/dbraw/zinc/32/83/20/208328320.db2.gz DCHBITHJABIYOA-MGPUTAFESA-N 1 0 356.441 3.806 1 0 FHAFRO Fc1cccc([C@H](Cc2ccccc2OC(F)(F)F)N2CC[NH2+]CC2)c1 ZINC000049037074 208413095 /nfs/dbraw/zinc/41/30/95/208413095.db2.gz LRKGVRWKYSKWQW-KRWDZBQOSA-N 1 0 368.374 3.913 1 0 in-vitro FHAFRO COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@@H](CC3CCCCC3)C[N@@H+]1CC2 ZINC000071331500 208762808 /nfs/dbraw/zinc/76/28/08/208762808.db2.gz CRICLBURZAGDER-YSIASYRMSA-N 1 0 359.510 3.954 1 0 FHAFRO Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CC[NH2+]CC4)n3n2)cc1 ZINC000072100793 136141783 /nfs/dbraw/zinc/14/17/83/136141783.db2.gz ISLDHPVPSXVESL-UHFFFAOYSA-N 1 0 373.435 3.612 1 0 FHAFRO CC(C)(C)[NH2+]CCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000103290705 209252148 /nfs/dbraw/zinc/25/21/48/209252148.db2.gz CDVNDBGJLKLVQF-UHFFFAOYSA-N 1 0 353.418 3.933 1 0 FHAFRO COc1cccc(-c2ccc3c4c2cccc4C(=O)N(CC[NH+](C)C)C3=O)c1 ZINC000096939899 209164223 /nfs/dbraw/zinc/16/42/23/209164223.db2.gz QFLWFTOVTPDRLR-UHFFFAOYSA-N 1 0 374.440 3.673 1 0 FHAFRO O=c1c2ccccc2n2nc(-c3ccccc3)cc2n1CCCc1ncc[nH]1 ZINC000096933153 209162634 /nfs/dbraw/zinc/16/26/34/209162634.db2.gz QUNQLGZTQWOWJH-UHFFFAOYSA-N 1 0 369.428 3.672 1 0 FHAFRO C[NH2+][C@H](CSC)c1nccc2c1[nH]c1ccc(O)c(Br)c12 ZINC000015209762 220148997 /nfs/dbraw/zinc/14/89/97/220148997.db2.gz RGJZFVKMTLBCJY-SNVBAGLBSA-N 1 0 366.284 3.808 1 0 FHAFRO O=C(c1cccc(F)c1)N1CCC2(CCC[N@H+](Cc3nccs3)C2)CC1 ZINC000004238179 207008455 /nfs/dbraw/zinc/00/84/55/207008455.db2.gz NOKRKVHGRBJJJA-UHFFFAOYSA-N 1 0 373.497 3.801 1 0 FHAFRO COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cccc(CF)c3)CN1CC2 ZINC000006733239 207158584 /nfs/dbraw/zinc/15/85/84/207158584.db2.gz OQMKJZHTWPQABR-AQNXPRMDSA-N 1 0 370.468 3.587 1 0 FHAFRO CC1(C)CC(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000010814540 207306441 /nfs/dbraw/zinc/30/64/41/207306441.db2.gz SGFXBMDLDNWTRS-UHFFFAOYSA-N 1 0 364.489 3.957 1 0 FHAFRO [NH3+]CCCNc1nc(-c2ccccc2Br)cc2ncccc21 ZINC000013489155 207463232 /nfs/dbraw/zinc/46/32/32/207463232.db2.gz OHSAWSYVVYVMER-UHFFFAOYSA-N 1 0 357.255 3.820 1 0 FHAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccccc1)c1ccccc1)[N@@H+]2C ZINC000027205772 207927961 /nfs/dbraw/zinc/92/79/61/207927961.db2.gz JHZOGWJGKSOSOG-WOZUAGRISA-N 1 0 365.473 3.817 1 0 FHAFRO O=S(=O)(c1ccc(F)cc1)n1cc(C2=CC[NH2+]CC2)c2cc(F)ccc21 ZINC000028129006 207950020 /nfs/dbraw/zinc/95/00/20/207950020.db2.gz VZKZWLBHHVMCSG-UHFFFAOYSA-N 1 0 374.412 3.533 1 0 FHAFRO COc1ccc(CCC(=O)N[C@@H](CC[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000028653980 207971000 /nfs/dbraw/zinc/97/10/00/207971000.db2.gz LMVDOARECZMPPF-NRFANRHFSA-N 1 0 354.494 3.745 1 0 FHAFRO CCC(=O)N1c2ccccc2OC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@H]21 ZINC000036190573 208148761 /nfs/dbraw/zinc/14/87/61/208148761.db2.gz XJZCYMONKQXDLC-VQTJNVASSA-N 1 0 364.489 3.755 1 0 FHAFRO O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000036188097 208149669 /nfs/dbraw/zinc/14/96/69/208149669.db2.gz MLRQCMOZADYUFC-JCVNQNCUSA-N 1 0 368.399 3.685 1 0 FHAFRO C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000040950623 208276382 /nfs/dbraw/zinc/27/63/82/208276382.db2.gz ONEBFVOLCNKTSV-QFBILLFUSA-N 1 0 372.896 3.888 1 0 FHAFRO C[NH2+]Cc1cc(NS(C)(=O)=O)ccc1Sc1ccc(SC)cc1 ZINC000040935613 208276613 /nfs/dbraw/zinc/27/66/13/208276613.db2.gz VUQUGOYPDVYZTL-UHFFFAOYSA-N 1 0 368.549 3.651 1 0 FHAFRO Cc1nn(-c2ccccn2)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000040391794 208249202 /nfs/dbraw/zinc/24/92/02/208249202.db2.gz SFQGQBSIVKZIBM-UHFFFAOYSA-N 1 0 360.461 3.597 1 0 FHAFRO CC(C)C(=O)N1C[C@@H]2CC=C(c3ccc(CC[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000045497563 208333794 /nfs/dbraw/zinc/33/37/94/208333794.db2.gz WRXMGBIIRVOTNL-RBBKRZOGSA-N 1 0 352.522 3.843 1 0 FHAFRO [NH3+]CCCN1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1cccc(O)c1 ZINC000049820755 208423365 /nfs/dbraw/zinc/42/33/65/208423365.db2.gz ORWYLXCPUPWKCU-HXUWFJFHSA-N 1 0 355.869 3.823 1 0 FHAFRO COc1ccccc1N1CC[NH+](Cc2cc(CO)c3cccccc2-3)CC1 ZINC000095558613 132215310 /nfs/dbraw/zinc/21/53/10/132215310.db2.gz NUTCIQIPIDPFOT-UHFFFAOYSA-N 1 0 362.473 3.615 1 0 FHAFRO O[C@@H](c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000169334380 132261391 /nfs/dbraw/zinc/26/13/91/132261391.db2.gz PPOROOFLUNLTLP-PKTZIBPZSA-N 1 0 359.473 3.679 1 0 FHAFRO CC(C)[N@H+](CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O ZINC000095560051 209080390 /nfs/dbraw/zinc/08/03/90/209080390.db2.gz OGCSNFFNLCCVLC-UHFFFAOYSA-N 1 0 373.493 3.955 1 0 FHAFRO C[NH+](C)CCCN1c2cc(Cl)ccc2O[C@@H](Cc2ccccc2)C1=O ZINC000169324432 535833949 /nfs/dbraw/zinc/83/39/49/535833949.db2.gz CWKGXIZIUUXGHH-IBGZPJMESA-N 1 0 358.869 3.628 1 0 FHAFRO Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1cccc(C[NH+]3CCCC3)c1-2 ZINC000049048070 581093595 /nfs/dbraw/zinc/09/35/95/581093595.db2.gz VNKVESZANYVNNB-UHFFFAOYSA-N 1 0 356.429 3.533 1 0 FHAFRO CC1(C)O[C@@]2([C@@H]3C[C@H](Cc4ccc(O)cc4)C[C@H](CO)C3)CC[C@@H]1[C@@H]([NH3+])C2 ZINC000085543255 291076039 /nfs/dbraw/zinc/07/60/39/291076039.db2.gz KXYOIBBIVWUHEW-SCQFYLGVSA-N 1 0 373.537 3.635 1 0 biogenic,in-vitro FHAFRO Cc1cc2nc([C@H]3CCCO3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C ZINC000103247292 209249662 /nfs/dbraw/zinc/24/96/62/209249662.db2.gz YZUAKSJUXZOMNM-GOSISDBHSA-N 1 0 374.448 3.601 1 0 FHAFRO CCC[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 ZINC000100852723 209219074 /nfs/dbraw/zinc/21/90/74/209219074.db2.gz NHTGUVBHHDMIOT-WGSAOQKQSA-N 1 0 355.526 3.774 1 0 FHAFRO CCC[C@H]1CC[C@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 ZINC000100852706 209218875 /nfs/dbraw/zinc/21/88/75/209218875.db2.gz NHTGUVBHHDMIOT-KDURUIRLSA-N 1 0 355.526 3.774 1 0 FHAFRO COc1ccc(-c2ccc3c4c2cccc4C(=O)N(CC[NH+](C)C)C3=O)cc1 ZINC000096939901 209164797 /nfs/dbraw/zinc/16/47/97/209164797.db2.gz CJZSNDZCYBOPIB-UHFFFAOYSA-N 1 0 374.440 3.673 1 0 FHAFRO CC[N@H+]1CC(=Cc2ccccc2)C2=NC(=S)N[C@@H](c3ccccc3)C2C1 ZINC000096282936 209150111 /nfs/dbraw/zinc/15/01/11/209150111.db2.gz BCBPTKMBLADSLS-ZPBCLNFZSA-N 1 0 361.514 3.879 1 0 FHAFRO C[NH2+]CCc1ccc(Oc2ccc(O)cc2)c(I)c1 ZINC000013681070 220084958 /nfs/dbraw/zinc/08/49/58/220084958.db2.gz SXXZXNBIOFFYGG-UHFFFAOYSA-N 1 0 369.202 3.551 1 0 FHAFRO C[N@@H+]1CC[C@H](c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)C1 ZINC000006013424 207127050 /nfs/dbraw/zinc/12/70/50/207127050.db2.gz GYFABGMYDPKBEU-AWEZNQCLSA-N 1 0 374.893 3.951 1 0 FHAFRO CC(C)=CCn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCc1ccc(O)cc1 ZINC000013743318 207483828 /nfs/dbraw/zinc/48/38/28/207483828.db2.gz KWEZMHIIEJQCJR-FQEVSTJZSA-N 1 0 352.478 3.730 1 0 FHAFRO CCOC(=O)c1cnc2c(OC)cccc2c1NCCC[NH+](CC)CC ZINC000020103833 207725572 /nfs/dbraw/zinc/72/55/72/207725572.db2.gz CPGLHZWOLOEDLZ-UHFFFAOYSA-N 1 0 359.470 3.564 1 0 FHAFRO CC(C)=C(c1cc(Cl)ccc1OC[C@@H](O)C[NH2+]C(C)C)n1ccnc1 ZINC000040641294 208260864 /nfs/dbraw/zinc/26/08/64/208260864.db2.gz CUKJUMZIHFFAJF-INIZCTEOSA-N 1 0 363.889 3.573 1 0 FHAFRO Fc1ccc(-c2[nH]cc(CCCN3CC[NH2+]CC3)c2-c2ccncc2)cc1 ZINC000043012167 208301542 /nfs/dbraw/zinc/30/15/42/208301542.db2.gz ALYGNJLYDRVUFC-UHFFFAOYSA-N 1 0 364.468 3.721 1 0 FHAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1 ZINC000043204920 208301788 /nfs/dbraw/zinc/30/17/88/208301788.db2.gz PYUCVLVRHYGSER-FXAWDEMLSA-N 1 0 356.514 3.767 1 0 FHAFRO O=c1cc(-c2ccccc2Cl)oc2ccc(CN3CC[NH2+]CC3)cc12 ZINC000045284906 208329183 /nfs/dbraw/zinc/32/91/83/208329183.db2.gz LVEXDHXHMNBFKG-UHFFFAOYSA-N 1 0 354.837 3.519 1 0 FHAFRO CC(C)(C)c1ccc(S(=O)(=O)Cc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000049013923 208411928 /nfs/dbraw/zinc/41/19/28/208411928.db2.gz VSEFZWVBYMRIEE-UHFFFAOYSA-N 1 0 357.519 3.646 1 0 FHAFRO Cc1ccc(C(=O)N2c3ccccc3[C@@H]([NH+]3CCCC3)[C@@H](O)[C@H]2C)cc1 ZINC000096941845 132226789 /nfs/dbraw/zinc/22/67/89/132226789.db2.gz LUUPFTFSICTSSR-HBGVWJBISA-N 1 0 350.462 3.542 1 0 FHAFRO CC(C)(C)c1ccc(CC2([NH3+])CCN(c3ccnc4n[nH]cc43)CC2)cc1 ZINC000045387434 132951794 /nfs/dbraw/zinc/95/17/94/132951794.db2.gz ZSPYHLIIAPFXSZ-UHFFFAOYSA-N 1 0 363.509 3.796 1 0 FHAFRO S=c1[nH]c2ccc(CCC[NH+]3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000038422626 136118731 /nfs/dbraw/zinc/11/87/31/136118731.db2.gz NEUIVMZLDPIEPD-UHFFFAOYSA-N 1 0 352.507 3.980 1 0 FHAFRO Cc1nn(-c2cccc(C)c2)c2c1c(N1CC[NH+](C)CC1)nc1ccccc21 ZINC000026752816 136153181 /nfs/dbraw/zinc/15/31/81/136153181.db2.gz UTDKDPTYKUPLOX-UHFFFAOYSA-N 1 0 371.488 3.942 1 0 FHAFRO Cc1c(N[C@@H]2CCC[NH2+]C2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 ZINC000095553244 209079117 /nfs/dbraw/zinc/07/91/17/209079117.db2.gz CKAYFBSKGOPXBW-CYBMUJFWSA-N 1 0 374.851 3.738 1 0 FHAFRO Cc1nn2c(nc(C)cc2N(C)CCC[NH+](C)C)c1-c1ccc(C)cc1 ZINC000095561049 209080663 /nfs/dbraw/zinc/08/06/63/209080663.db2.gz QUWCAAFHVKRTRL-UHFFFAOYSA-N 1 0 351.498 3.709 1 0 FHAFRO COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)C[C@@H](OC)C(=[NH2+])N2)cc1 ZINC000095921320 209086945 /nfs/dbraw/zinc/08/69/45/209086945.db2.gz XBWQSEBJKSPBBV-FYYLOGMGSA-N 1 0 373.456 3.777 1 0 in-vitro FHAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(COc2cccc3ccccc32)c1 ZINC000005835968 581092236 /nfs/dbraw/zinc/09/22/36/581092236.db2.gz JHWDJVFPABOYEB-UHFFFAOYSA-N 1 0 373.460 3.604 1 0 FHAFRO CC(C)C[NH+]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000103231668 209249736 /nfs/dbraw/zinc/24/97/36/209249736.db2.gz ATLIUJIEFAFYBZ-HXUWFJFHSA-N 1 0 371.912 3.667 1 0 FHAFRO O=c1cc(C(F)(F)F)n(C/C=C/C[NH+]2CCCC2)c2ccc(F)cc12 ZINC000096909948 209160922 /nfs/dbraw/zinc/16/09/22/209160922.db2.gz LYZMJTKNLHYBPK-ONEGZZNKSA-N 1 0 354.347 3.811 1 0 FHAFRO CC[C@@H](C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC000096900292 209160534 /nfs/dbraw/zinc/16/05/34/209160534.db2.gz DLSQXSJVRSSPFW-AYOQOUSVSA-N 1 0 365.949 3.574 1 0 FHAFRO CC[N@H+]1CC(=Cc2ccccc2)C2=NC(=S)N[C@H](c3ccccc3)C2C1 ZINC000096282937 209149724 /nfs/dbraw/zinc/14/97/24/209149724.db2.gz BCBPTKMBLADSLS-ITICKHJUSA-N 1 0 361.514 3.879 1 0 FHAFRO COc1cc2c(cc1OC)C[N@H+](CCOc1ccc3ccccc3n1)CC2 ZINC000096272350 209148651 /nfs/dbraw/zinc/14/86/51/209148651.db2.gz OBOOGPODPPLOFG-UHFFFAOYSA-N 1 0 364.445 3.689 1 0 FHAFRO C[NH2+]CCc1ccc(OCc2ccccc2)c(I)c1 ZINC000013681060 220084100 /nfs/dbraw/zinc/08/41/00/220084100.db2.gz MAQZSKBSANEUSG-UHFFFAOYSA-N 1 0 367.230 3.632 1 0 FHAFRO C[C@H]1CCC[C@H](C)[NH+]1CCC[C@@](C(N)=O)(c1ccccc1)c1ccccn1 ZINC000029553814 207994578 /nfs/dbraw/zinc/99/45/78/207994578.db2.gz CZVQBMXKFAJRAC-SFYKDHMMSA-N 1 0 365.521 3.896 1 0 FHAFRO C[C@H]1C[N@@H+]2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075221 208116237 /nfs/dbraw/zinc/11/62/37/208116237.db2.gz ITXRIFRTTPJIPH-XTQVGHSUSA-N 1 0 366.505 3.582 1 0 FHAFRO CC(C)[NH+](CC[C@@](CCn1cccc1)(C(N)=O)c1ccccc1)C(C)C ZINC000040822685 208271344 /nfs/dbraw/zinc/27/13/44/208271344.db2.gz BECIZJDMJJYFIJ-JOCHJYFZSA-N 1 0 355.526 3.810 1 0 FHAFRO CCCCSc1ccc2c3c1cccc3C(=O)N(CC[NH+](C)C)C2=O ZINC000040848088 208273081 /nfs/dbraw/zinc/27/30/81/208273081.db2.gz JJDYQYSPOPMSEO-UHFFFAOYSA-N 1 0 356.491 3.890 1 0 FHAFRO CNC(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2ccccc2)n3C)ccn1 ZINC000040896434 208273815 /nfs/dbraw/zinc/27/38/15/208273815.db2.gz GLRHEOXLLKWUGI-UHFFFAOYSA-N 1 0 373.416 3.864 1 0 FHAFRO CN(C)c1ccc(-c2cc3nccc(N(C)CCC[NH+](C)C)c3cn2)cc1 ZINC000040896835 208274424 /nfs/dbraw/zinc/27/44/24/208274424.db2.gz CYYLTISBIUULLU-UHFFFAOYSA-N 1 0 363.509 3.751 1 0 FHAFRO CC[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000040949530 208276248 /nfs/dbraw/zinc/27/62/48/208276248.db2.gz KFQRNRMSCSAZDG-TZIWHRDSSA-N 1 0 352.478 3.625 1 0 FHAFRO CC[C@H]1CC(=O)C[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000040373843 208249506 /nfs/dbraw/zinc/24/95/06/208249506.db2.gz KRRDPQUROQJNSW-AZIXLERZSA-N 1 0 353.506 3.979 1 0 FHAFRO C[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCC[NH2+]1 ZINC000040423123 208252605 /nfs/dbraw/zinc/25/26/05/208252605.db2.gz HXLRPJHMHZZHBD-SJLPKXTDSA-N 1 0 372.896 3.888 1 0 FHAFRO C[C@@H]1CCc2nc(CCC[N@H+]3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1 ZINC000040412885 208252819 /nfs/dbraw/zinc/25/28/19/208252819.db2.gz FHITVFDYWLZSRT-QGZVFWFLSA-N 1 0 363.505 3.617 1 0 FHAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(SC)cc1)[N@@H+]2CCCF ZINC000045290735 208330211 /nfs/dbraw/zinc/33/02/11/208330211.db2.gz GBDCEJWZYYZILX-HPBDAGMYSA-N 1 0 351.487 3.878 1 0 FHAFRO C[C@@H]1CCCN1c1cnc2nc(N3CCC([NH+]4CCCCC4)CC3)oc2c1 ZINC000073298652 208878200 /nfs/dbraw/zinc/87/82/00/208878200.db2.gz FIBCKBJLDCWYKE-MRXNPFEDSA-N 1 0 369.513 3.666 1 0 FHAFRO Cc1nn(C)c2nc3ccccc3c(N3CCCC[C@@H]3CC[NH+](C)C)c12 ZINC000169331191 132261500 /nfs/dbraw/zinc/26/15/00/132261500.db2.gz LZBJFHVSDHJTFH-MRXNPFEDSA-N 1 0 351.498 3.741 1 0 FHAFRO O=C1N(Cc2ccc(Br)cc2)c2ccccc2[C@]12CCC[NH2+]2 ZINC000095585946 209081480 /nfs/dbraw/zinc/08/14/80/209081480.db2.gz TWXFVGOOTHIBLU-GOSISDBHSA-N 1 0 357.251 3.575 1 0 FHAFRO Cn1c2cc(-n3ccc(-c4ccccc4)cc3=O)ccc2c2c1CC[NH2+]C2 ZINC000064560290 212040068 /nfs/dbraw/zinc/04/00/68/212040068.db2.gz LDNBLXMHRYRTRP-UHFFFAOYSA-N 1 0 355.441 3.642 1 0 FHAFRO O=C1c2ccc(-c3ccc(F)c(F)c3)cc2CCN1CC[NH+]1CCCC1 ZINC000059113818 212015910 /nfs/dbraw/zinc/01/59/10/212015910.db2.gz GYCYFTUXIPKESF-UHFFFAOYSA-N 1 0 356.416 3.726 1 0 FHAFRO CC[C@H](C)[NH+](C[C@H](O)CNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000040933583 211764856 /nfs/dbraw/zinc/76/48/56/211764856.db2.gz CMUQIECDLISBIR-XYJFISCASA-N 1 0 359.514 3.915 1 0 FHAFRO COC1=CC=C(C[C@H]2[NH2+]CCc3c4cc(C)ccc4n(C)c32)C[C@H]1OC ZINC000026671624 211452717 /nfs/dbraw/zinc/45/27/17/211452717.db2.gz MEAYKEROHTYIJB-WIYYLYMNSA-N 1 0 352.478 3.939 1 0 FHAFRO C[N@@H+]1C[C@H](COC(=O)C2CCCC2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000013793935 211059630 /nfs/dbraw/zinc/05/96/30/211059630.db2.gz LBMASRRMMMURHJ-JLTOFOAXSA-N 1 0 350.462 3.771 1 0 FHAFRO CC(C)=CCn1c(=O)ccc2c1CCC[C@H]2[NH2+]CCc1ccc(O)cc1 ZINC000013743317 211056100 /nfs/dbraw/zinc/05/61/00/211056100.db2.gz KWEZMHIIEJQCJR-HXUWFJFHSA-N 1 0 352.478 3.730 1 0 FHAFRO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 ZINC000013451345 211033686 /nfs/dbraw/zinc/03/36/86/211033686.db2.gz NZYFTXGDQKJVTP-VKJFTORMSA-N 1 0 362.901 3.973 1 0 FHAFRO COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](c3cccc(Cl)c3)CN1CC2 ZINC000006733236 210693078 /nfs/dbraw/zinc/69/30/78/210693078.db2.gz ZJDLPRJGRPALAH-QYZOEREBSA-N 1 0 372.896 3.771 1 0 FHAFRO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(C13CC4CC(CC(C4)C1)C3)CN2 ZINC000005856281 210643928 /nfs/dbraw/zinc/64/39/28/210643928.db2.gz BYERQPSECPGQQX-UHFFFAOYSA-N 1 0 369.469 3.947 1 0 FHAFRO COc1ccccc1[C@H]1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000100086254 132232509 /nfs/dbraw/zinc/23/25/09/132232509.db2.gz FCPLDXWPGMEXLL-WGSAOQKQSA-N 1 0 351.494 3.939 1 0 FHAFRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2F)CC1 ZINC000103245467 132237423 /nfs/dbraw/zinc/23/74/23/132237423.db2.gz OXIFYRYFLQXWDR-DHZHZOJOSA-N 1 0 353.441 3.620 1 0 FHAFRO c1ccc(-c2ccc3c(n[nH]c3-c3ccc(N4CC[NH2+]CC4)cc3)n2)cc1 ZINC000073129806 136149885 /nfs/dbraw/zinc/14/98/85/136149885.db2.gz ODOVVMAMPYGRFL-UHFFFAOYSA-N 1 0 355.445 3.702 1 0 FHAFRO CO[C@H]1CC[C@H]2CN(CCc3ccccc3)[C@@H]1C[N@@H+]2Cc1ccccc1 ZINC000096318627 222114581 /nfs/dbraw/zinc/11/45/81/222114581.db2.gz WYUPWHUGPAKEOJ-ZRBLBEILSA-N 1 0 350.506 3.593 1 0 FHAFRO COc1ccc(OC)c(CCC(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)c1 ZINC000103236409 222328297 /nfs/dbraw/zinc/32/82/97/222328297.db2.gz CCYDYOCFYSKEGA-UHFFFAOYSA-N 1 0 365.433 3.714 1 0 FHAFRO COc1cc(CC[NH+]2CCCC2)c(Br)cc1Br ZINC000103269933 222330276 /nfs/dbraw/zinc/33/02/76/222330276.db2.gz YDUHKFFYYVNWSU-UHFFFAOYSA-N 1 0 363.093 3.859 1 0 FHAFRO c1sc(NC[C@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1-c1ccccn1 ZINC000101637697 222278941 /nfs/dbraw/zinc/27/89/41/222278941.db2.gz UQSCBZYWISCZMJ-BCDXTJNWSA-N 1 0 362.502 3.995 1 0 FHAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2nc3ccccc3[nH]2)C1C(=O)OCC ZINC000102051254 222287762 /nfs/dbraw/zinc/28/77/62/222287762.db2.gz BQQKUFSBVPHZQM-STZPCZCHSA-N 1 0 369.421 3.764 1 0 FHAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccccc2OC)C1C(=O)OCC ZINC000000639886 210255127 /nfs/dbraw/zinc/25/51/27/210255127.db2.gz YCQMWCZLBBEGAF-CQGUWYRNSA-N 1 0 359.422 3.897 1 0 FHAFRO COc1ccc(CC[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1OC ZINC000005811653 210232019 /nfs/dbraw/zinc/23/20/19/210232019.db2.gz AECKSTRRHRODOS-SFHVURJKSA-N 1 0 371.477 3.883 1 0 FHAFRO Cc1ccc(-c2cc(=O)c3ccc(OC[C@@H](O)C[NH2+]C(C)C)cc3o2)cc1 ZINC000006071150 210230570 /nfs/dbraw/zinc/23/05/70/210230570.db2.gz RLYLBTHVPUJBPS-KRWDZBQOSA-N 1 0 367.445 3.506 1 0 FHAFRO Cc1csc(N2CC[NH+](CCCCc3sc(C)nc3C)CC2)n1 ZINC000004217268 210229193 /nfs/dbraw/zinc/22/91/93/210229193.db2.gz HGUWSZPRJQTWJN-UHFFFAOYSA-N 1 0 350.557 3.670 1 0 in-man FHAFRO NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc([C@H]4CCC[NH2+]C4)cc3F)nc21 ZINC000063540118 212032379 /nfs/dbraw/zinc/03/23/79/212032379.db2.gz UGHBIMSDMGHFIE-NSHDSACASA-N 1 0 372.831 3.588 1 0 FHAFRO COCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000061927418 212028724 /nfs/dbraw/zinc/02/87/24/212028724.db2.gz HWZZIQNXHGBEJF-QFIPXVFZSA-N 1 0 366.505 3.718 3 0 FHAFRO Cc1ccc(S(=O)(=O)n2c3ccccc3c3c2CC[C@H]([NH+](C)C)C3)cc1 ZINC000060325490 212020392 /nfs/dbraw/zinc/02/03/92/212020392.db2.gz DEZPWQOAHILRIP-INIZCTEOSA-N 1 0 368.502 3.606 1 0 FHAFRO Cc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000045319459 211813118 /nfs/dbraw/zinc/81/31/18/211813118.db2.gz FIGDYIJYOZCGNZ-ROUUACIJSA-N 1 0 362.395 3.633 1 0 FHAFRO CC[N@H+](C)Cc1ccc(C[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040914507 211763944 /nfs/dbraw/zinc/76/39/44/211763944.db2.gz LQLHQUVZQVHQBV-GOSISDBHSA-N 1 0 353.462 3.753 1 0 FHAFRO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000022930445 211371565 /nfs/dbraw/zinc/37/15/65/211371565.db2.gz KWLGTWNZMNKIRK-NRFANRHFSA-N 1 0 366.505 3.727 1 0 FHAFRO C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000022938509 211371063 /nfs/dbraw/zinc/37/10/63/211371063.db2.gz ANYGZQHMXQTJQV-CVEARBPZSA-N 1 0 360.448 3.753 1 0 FHAFRO COc1ccc2c(c1)[C@H](NCC[NH+]1[C@@H](C)CC[C@@H]1C)c1cccnc1CO2 ZINC000022441285 211350531 /nfs/dbraw/zinc/35/05/31/211350531.db2.gz WOQWGJMYJPOTGT-PONJGIIJSA-N 1 0 367.493 3.534 1 0 FHAFRO O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000013861045 211063276 /nfs/dbraw/zinc/06/32/76/211063276.db2.gz ZVGFRYLMFAMUON-KRWDZBQOSA-N 1 0 354.416 3.725 1 0 FHAFRO CC(C)[NH2+]C[C@@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 ZINC000013731048 211053279 /nfs/dbraw/zinc/05/32/79/211053279.db2.gz PYNHMXVUQLOMJY-OAHLLOKOSA-N 1 0 357.479 3.543 1 0 FHAFRO CCC[N@H+](C/C=C\I)[C@@H]1CCc2cccc(O)c2C1 ZINC000013719831 211052314 /nfs/dbraw/zinc/05/23/14/211052314.db2.gz QBXHUZJZYDSLRH-RXTQTKKPSA-N 1 0 371.262 3.910 1 0 in-vitro FHAFRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000013684900 211048608 /nfs/dbraw/zinc/04/86/08/211048608.db2.gz FLDYOAPQWUARBK-GOSISDBHSA-N 1 0 366.914 3.620 1 0 FHAFRO O=C(Cc1ccccc1)NCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000013679926 211048166 /nfs/dbraw/zinc/04/81/66/211048166.db2.gz YYTKBOHDXKOQOC-UHFFFAOYSA-N 1 0 362.517 3.715 1 0 FHAFRO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000013593486 211042623 /nfs/dbraw/zinc/04/26/23/211042623.db2.gz LOKCGQMABNKXKB-HNNXBMFYSA-N 1 0 355.825 3.971 3 0 FHAFRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475009 211035255 /nfs/dbraw/zinc/03/52/55/211035255.db2.gz HADDGTXUFMJHIP-MOPGFXCFSA-N 1 0 359.853 3.824 1 0 FHAFRO C[C@H]1C2=C(CC=CC2)C(=O)N1CC1CC[NH+](CCc2ccccc2)CC1 ZINC000013475700 211035270 /nfs/dbraw/zinc/03/52/70/211035270.db2.gz GFEHKHWLVNFFRC-SFHVURJKSA-N 1 0 350.506 3.818 1 0 FHAFRO CC[NH+](CC)CCN1c2ccccc2[C@@](O)(c2ccc3ccccc3c2)C1=O ZINC000013471173 211033813 /nfs/dbraw/zinc/03/38/13/211033813.db2.gz FVZCUOAEJAWIKG-DEOSSOPVSA-N 1 0 374.484 3.764 1 0 FHAFRO COc1ccc2c(c1)c1c(n2CC[NH+](C)C)-c2cc(OC)ccc2CC1 ZINC000001652491 210364278 /nfs/dbraw/zinc/36/42/78/210364278.db2.gz AIVYHRBBOCVCDB-UHFFFAOYSA-N 1 0 350.462 3.986 1 0 FHAFRO Cc1cc(-c2ccc(NCC[NH3+])cc2)c(/C=C2/c3ccccc3NC2=O)[nH]1 ZINC000071332134 221343511 /nfs/dbraw/zinc/34/35/11/221343511.db2.gz NUFYUAGFQGNRFD-UYRXBGFRSA-N 1 0 358.445 3.853 1 0 FHAFRO O=c1c2ccc(OCC[NH+]3CCCC3)cc2occ1-c1ccc(O)cc1 ZINC000103240650 222327711 /nfs/dbraw/zinc/32/77/11/222327711.db2.gz VCNVTODZBGJIAO-UHFFFAOYSA-N 1 0 351.402 3.640 1 0 FHAFRO NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C2(c3ccccc3)CC2)c1 ZINC000101366425 222271233 /nfs/dbraw/zinc/27/12/33/222271233.db2.gz DFAQDDJMQNABPJ-CEQLMSFQSA-N 1 0 362.473 3.849 1 0 FHAFRO CCCn1c(-c2ccc(C)s2)nc2ccc(N3CC[NH+](C)CC3)nc21 ZINC000095583005 535577465 /nfs/dbraw/zinc/57/74/65/535577465.db2.gz ROXINUGJGPFBBU-UHFFFAOYSA-N 1 0 355.511 3.630 1 0 FHAFRO COc1ccc([C@H]2CC[C@H]([NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000100085675 536944861 /nfs/dbraw/zinc/94/48/61/536944861.db2.gz PQGLTWUOVHNAGW-PUZFROQSSA-N 1 0 351.494 3.939 1 0 FHAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]([NH2+]C1CC1)c1ccccc1 ZINC000049036487 581101426 /nfs/dbraw/zinc/10/14/26/581101426.db2.gz SKYALJGMRAGHEN-SFHVURJKSA-N 1 0 367.836 3.613 1 0 in-vitro FHAFRO C[C@@H]([C@@H](O)c1ccc2c(c1)CC(=O)N2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000598161 210249624 /nfs/dbraw/zinc/24/96/24/210249624.db2.gz FCXXSNGUDWIOQU-QMHKHESXSA-N 1 0 364.489 3.558 1 0 FHAFRO COCc1ccc(O)cc1CC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000085486947 291076650 /nfs/dbraw/zinc/07/66/50/291076650.db2.gz MYTOTPYYDYGXFE-FCHUYYIVSA-N 1 0 355.478 3.669 1 0 biogenic,in-vitro FHAFRO CCN(CC)C(=O)c1ccc(C2=C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000043060755 211787359 /nfs/dbraw/zinc/78/73/59/211787359.db2.gz VJIOWLHENKXJHM-HSZRJFAPSA-N 1 0 362.473 3.725 1 0 FHAFRO CCNS(=O)(=O)c1ccc(-c2ccc(CC[N@@H+]3CCC[C@H]3C)cc2)cc1 ZINC000043012724 211784935 /nfs/dbraw/zinc/78/49/35/211784935.db2.gz GQLPRIVQAONOIR-QGZVFWFLSA-N 1 0 372.534 3.679 1 0 FHAFRO COc1ccc(C[C@H]2[NH2+]CCc3c4cc(F)cc(F)c4[nH]c32)cc1OC ZINC000026674455 211452763 /nfs/dbraw/zinc/45/27/63/211452763.db2.gz HGPUOFMXABMTJJ-MRXNPFEDSA-N 1 0 358.388 3.893 1 0 FHAFRO Oc1ccc(C[C@@H]2CNCC[N@@H+]2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000022929283 211370095 /nfs/dbraw/zinc/37/00/95/211370095.db2.gz FKUGFZNBSHPYHT-LOIQHOORSA-N 1 0 354.538 3.815 3 0 FHAFRO O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000022877026 211368063 /nfs/dbraw/zinc/36/80/63/211368063.db2.gz HPZHSYBCGLDRCT-DHIUTWEWSA-N 1 0 368.496 3.641 1 0 FHAFRO [NH3+]CCc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000014975927 211110673 /nfs/dbraw/zinc/11/06/73/211110673.db2.gz DCLULEWKNCWYMQ-UHFFFAOYSA-N 1 0 369.273 3.686 1 0 FHAFRO Fc1ccc([C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000013776969 211058643 /nfs/dbraw/zinc/05/86/43/211058643.db2.gz HAHQKXHPHSTOFJ-WZGPROSRSA-N 1 0 355.409 3.858 1 0 FHAFRO Fc1ccc([C@@H]2C[C@H]3CC[C@H]([NH2+]3)[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000013776981 211058384 /nfs/dbraw/zinc/05/83/84/211058384.db2.gz HAHQKXHPHSTOFJ-LULLPPNCSA-N 1 0 355.409 3.858 1 0 FHAFRO C[NH+](C)C[C@@H]1c2ccoc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013737725 211056166 /nfs/dbraw/zinc/05/61/66/211056166.db2.gz YLMLDRNBBXPIIN-MRXNPFEDSA-N 1 0 367.276 3.817 1 0 FHAFRO CO[C@@H](C(=O)N[C@H](CC[NH+](C)C)c1ccc(Cl)cc1)c1ccccc1 ZINC000013684695 211048578 /nfs/dbraw/zinc/04/85/78/211048578.db2.gz WTIOICFLVWQZCC-RTBURBONSA-N 1 0 360.885 3.837 1 0 FHAFRO Ic1ccc(OCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000013605804 211042686 /nfs/dbraw/zinc/04/26/86/211042686.db2.gz JXQVMKWSWFFOHD-UHFFFAOYSA-N 1 0 371.262 3.792 1 0 FHAFRO Clc1ncc(OC[C@@H]2CCC[NH2+]2)cc1-c1ccc(Br)nc1 ZINC000013560808 211039742 /nfs/dbraw/zinc/03/97/42/211039742.db2.gz OPUUMGSQEKCHRQ-NSHDSACASA-N 1 0 368.662 3.690 1 0 FHAFRO CC[NH+](CC)CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 ZINC000013451341 211033546 /nfs/dbraw/zinc/03/35/46/211033546.db2.gz PBKDIZDDELFTGW-YOEHRIQHSA-N 1 0 350.890 3.830 1 0 FHAFRO C[NH+](C)CCNC(=O)c1cc(Cl)cc2ccc(-c3ccccc3)nc21 ZINC000001613464 210362677 /nfs/dbraw/zinc/36/26/77/210362677.db2.gz NDXFIYMQRMASKB-UHFFFAOYSA-N 1 0 353.853 3.847 1 0 FHAFRO CCc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(OC)c1OC ZINC000071280582 221338376 /nfs/dbraw/zinc/33/83/76/221338376.db2.gz HVRTZAHLKAYPGW-IBGZPJMESA-N 1 0 366.461 3.991 1 0 FHAFRO CNc1nc(N2CCC3(CC2)CC[NH+](C)CC3)nc2ccc(Cl)cc21 ZINC000040864554 136120529 /nfs/dbraw/zinc/12/05/29/136120529.db2.gz DXEWHKVKFWXBSK-UHFFFAOYSA-N 1 0 359.905 3.637 1 0 FHAFRO COc1cc(Cl)cc(C[NH2+]CCCNC(=O)Nc2ccsc2)c1 ZINC000095580635 221962380 /nfs/dbraw/zinc/96/23/80/221962380.db2.gz FARFGOOSWAQYQX-UHFFFAOYSA-N 1 0 353.875 3.712 1 0 in-vitro FHAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccnc1 ZINC000096922464 222139857 /nfs/dbraw/zinc/13/98/57/222139857.db2.gz YDGOIAYLQWVZCN-PXNSSMCTSA-N 1 0 364.493 3.705 1 0 FHAFRO COc1ccccc1-c1ccc2cccc3c2c1C(=O)N(CC[NH+](C)C)C3=O ZINC000096939249 222143655 /nfs/dbraw/zinc/14/36/55/222143655.db2.gz ZRCVZNFZQVWWQN-UHFFFAOYSA-N 1 0 374.440 3.673 1 0 FHAFRO COC(=O)c1ccc2c(c1)CO[C@]2(CCC[NH+](C)C)c1ccc(F)cc1 ZINC000103245898 222328364 /nfs/dbraw/zinc/32/83/64/222328364.db2.gz XGZYQVJFZBQTBE-OAQYLSRUSA-N 1 0 357.425 3.728 1 0 FHAFRO C[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C(N)=O)c1)C2 ZINC000101366407 222272061 /nfs/dbraw/zinc/27/20/61/222272061.db2.gz IDPGDKXBQTZRGW-KBMWQNTOSA-N 1 0 350.462 3.921 1 0 FHAFRO COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)[N@@H+]2C/C=C/C[18F] ZINC000102143585 222289727 /nfs/dbraw/zinc/28/97/27/222289727.db2.gz LMVDJMCDHZLBFE-HQIMTIOZSA-N 1 0 350.852 3.975 1 0 FHAFRO CC(C)c1ccc(-c2c(=O)c(=O)c2NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020510302 519833731 /nfs/dbraw/zinc/83/37/31/519833731.db2.gz IPHMFNVTBSZBCI-INIZCTEOSA-N 1 0 354.494 3.607 1 0 FHAFRO COc1ccc(C(=O)N2CCC3(CCCN(c4cc[nH+]cc4)C3)CC2)cc1 ZINC000003956083 536714376 /nfs/dbraw/zinc/71/43/76/536714376.db2.gz ZTSIRRAKTZUAOB-UHFFFAOYSA-N 1 0 365.477 3.613 1 0 FHAFRO O[C@H]1Cc2cccc(OCCF)c2C[C@@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000064744416 212043480 /nfs/dbraw/zinc/04/34/80/212043480.db2.gz QDERQSYUBLZZNW-VXKWHMMOSA-N 1 0 369.480 3.743 1 0 FHAFRO O=C1c2ccc(-c3cc(F)cc(F)c3)cc2CCN1CC[NH+]1CCCC1 ZINC000059113081 212015549 /nfs/dbraw/zinc/01/55/49/212015549.db2.gz VYWPYDHJBNEPBP-UHFFFAOYSA-N 1 0 356.416 3.726 1 0 FHAFRO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccccc1 ZINC000058506785 212012447 /nfs/dbraw/zinc/01/24/47/212012447.db2.gz KCZQVDUNRPTDJR-HXUWFJFHSA-N 1 0 358.507 3.582 1 0 FHAFRO CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CC[NH2+]CC3)ccc21 ZINC000058638372 212012568 /nfs/dbraw/zinc/01/25/68/212012568.db2.gz DHDKYDLNUPJXFQ-UHFFFAOYSA-N 1 0 366.490 3.686 1 0 in-vitro FHAFRO [NH3+]C[C@@H]1[C@@H](c2ccccc2)[C@@]1(C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000029046905 211504924 /nfs/dbraw/zinc/50/49/24/211504924.db2.gz ZAKNFBUXJCNYEX-GZGNHOFSSA-N 1 0 368.480 3.886 1 0 FHAFRO CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)[N@@H+](CC1CC1)CC3 ZINC000028709207 211496039 /nfs/dbraw/zinc/49/60/39/211496039.db2.gz SGHKXPYOPVKZJP-VCOUNFBDSA-N 1 0 354.494 3.873 1 0 FHAFRO O=C(Cc1ccccc1C(F)(F)F)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000013861046 211064429 /nfs/dbraw/zinc/06/44/29/211064429.db2.gz HSPFUIOJKZSLQI-MRXNPFEDSA-N 1 0 354.416 3.725 1 0 FHAFRO O=C1c2ccccc2C(=O)N1C1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000013802419 211059858 /nfs/dbraw/zinc/05/98/58/211059858.db2.gz YKDSRIXEEBYQEB-UHFFFAOYSA-N 1 0 360.457 3.652 1 0 FHAFRO C[N@H+](C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CCC1 ZINC000013738804 211055127 /nfs/dbraw/zinc/05/51/27/211055127.db2.gz WAGDYUJHDQNZLO-FQEVSTJZSA-N 1 0 368.521 3.614 1 0 FHAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Br)c1)[N@@H+]2C ZINC000013642587 211046696 /nfs/dbraw/zinc/04/66/96/211046696.db2.gz CLDUXOXUODATIA-DRABBMOASA-N 1 0 372.690 3.842 1 0 FHAFRO C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(F)c4)nc32)CC1 ZINC000013523654 211037657 /nfs/dbraw/zinc/03/76/57/211037657.db2.gz ZOQSROUPADLHKR-UHFFFAOYSA-N 1 0 352.413 3.764 1 0 FHAFRO COc1ccc2c(c1)c1c(n2CC[NH+](C)C)-c2cccc(OC)c2CC1 ZINC000001651456 210363998 /nfs/dbraw/zinc/36/39/98/210363998.db2.gz HSTBMJJSQMRESP-UHFFFAOYSA-N 1 0 350.462 3.986 1 0 FHAFRO CC(=O)c1ccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)cc1 ZINC000066252072 221242426 /nfs/dbraw/zinc/24/24/26/221242426.db2.gz DGBSDVLLPRGLHU-UHFFFAOYSA-N 1 0 370.522 3.862 1 0 FHAFRO COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC3CCCCC3)C[N@@H+]1CC2 ZINC000071331498 221343490 /nfs/dbraw/zinc/34/34/90/221343490.db2.gz CRICLBURZAGDER-MISYRCLQSA-N 1 0 359.510 3.954 1 0 FHAFRO O=C(Oc1ccccc1)N1CCC2(CC1)CCN(c1cc[nH+]cc1)CC2 ZINC000003955849 132386028 /nfs/dbraw/zinc/38/60/28/132386028.db2.gz UGEOBEWCRMXLMA-UHFFFAOYSA-N 1 0 351.450 3.963 1 0 FHAFRO COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)C[C@H](OC)C(=[NH2+])N2)cc1 ZINC000096906040 222137249 /nfs/dbraw/zinc/13/72/49/222137249.db2.gz XBWQSEBJKSPBBV-GMAHTHKFSA-N 1 0 373.456 3.777 1 0 FHAFRO Nc1cccc(OCc2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)c1 ZINC000096938868 222143320 /nfs/dbraw/zinc/14/33/20/222143320.db2.gz UDVCUUSSMGNUOG-UHFFFAOYSA-N 1 0 360.481 3.784 1 0 FHAFRO CCC[N@@H+](c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc21 ZINC000000598070 210250618 /nfs/dbraw/zinc/25/06/18/210250618.db2.gz SDDAWVZASDNIOK-UHFFFAOYSA-N 1 0 356.401 3.882 1 0 FHAFRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1 ZINC000063539674 212031982 /nfs/dbraw/zinc/03/19/82/212031982.db2.gz VVEGARMQKNYDID-CHWSQXEVSA-N 1 0 370.888 3.958 1 0 FHAFRO CC(C)CNC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000061908797 212026972 /nfs/dbraw/zinc/02/69/72/212026972.db2.gz FXNQRDCCMYTWIM-KRWDZBQOSA-N 1 0 358.404 3.712 3 0 FHAFRO CCCOc1cc2c[n+]3c(cc2cc1OC)-c1cc2c(cc1CC3)OCO2 ZINC000040917891 211764783 /nfs/dbraw/zinc/76/47/83/211764783.db2.gz RJFGIZULENNNRA-UHFFFAOYSA-N 1 0 364.421 3.877 1 0 FHAFRO C[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000040412325 211744317 /nfs/dbraw/zinc/74/43/17/211744317.db2.gz ODUXBNOPUCKJQD-NVXWUHKLSA-N 1 0 358.869 3.893 1 0 FHAFRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000028221552 211482179 /nfs/dbraw/zinc/48/21/79/211482179.db2.gz REJYGFBJAGQUCN-KNKQGSTJSA-N 1 0 352.522 3.989 1 0 FHAFRO CN(C)C(=O)OC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C[NH+](C)C ZINC000026958039 211457148 /nfs/dbraw/zinc/45/71/48/211457148.db2.gz SNFLUSWKZBSPJY-GEOZSUPMSA-N 1 0 364.489 3.770 1 0 FHAFRO C[C@@H](CC[N@@H+]1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc21 ZINC000013531243 211037605 /nfs/dbraw/zinc/03/76/05/211037605.db2.gz XZYWRBPKJXHPIN-MSOLQXFVSA-N 1 0 374.550 3.971 1 0 FHAFRO COc1ccc(Br)cc1CCc1ccccc1C1=[NH+]CCN1 ZINC000013559856 211039032 /nfs/dbraw/zinc/03/90/32/211039032.db2.gz UGEWWDGQZJPIRF-UHFFFAOYSA-N 1 0 359.267 3.593 1 0 FHAFRO CCC[N@H+](C)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000013529279 211038217 /nfs/dbraw/zinc/03/82/17/211038217.db2.gz OVJLBHULUOXYFR-LJQANCHMSA-N 1 0 355.478 3.584 1 0 FHAFRO C[NH+](C)CCN1C(=O)c2cccc3cc(-c4ccc(F)cc4)cc(c32)C1=O ZINC000066100148 221241704 /nfs/dbraw/zinc/24/17/04/221241704.db2.gz OCPABUIMUVZQAR-UHFFFAOYSA-N 1 0 362.404 3.804 1 0 FHAFRO CCCCC[NH+]1CCC2(CC1)O[C@H](OC)Cc1c2cnn1-c1ccccc1 ZINC000072116473 221408274 /nfs/dbraw/zinc/40/82/74/221408274.db2.gz RMVFRQIWSFNEFP-NRFANRHFSA-N 1 0 369.509 3.899 1 0 FHAFRO Cc1cccc(C)c1N1CC[NH+](CC[C@@H](OC(N)=O)c2ccccc2)CC1 ZINC000095578465 132215796 /nfs/dbraw/zinc/21/57/96/132215796.db2.gz RHQVQAMQVAIHOE-HXUWFJFHSA-N 1 0 367.493 3.652 1 0 FHAFRO Cc1nn(C)c2nc3ccccc3c(N3CCC(CC[NH+](C)C)CC3)c12 ZINC000169326557 132261603 /nfs/dbraw/zinc/26/16/03/132261603.db2.gz RTYVLKYIBLWFOD-UHFFFAOYSA-N 1 0 351.498 3.598 1 0 FHAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2c(F)c(F)cc(F)c2F)C1C(=O)OC ZINC000100018877 222231492 /nfs/dbraw/zinc/23/14/92/222231492.db2.gz PNHNDJOGVGSGSR-HMHNVIDESA-N 1 0 373.302 3.664 1 0 FHAFRO Cc1nc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1 ZINC000103271977 222330473 /nfs/dbraw/zinc/33/04/73/222330473.db2.gz VOSRGYYQXSUOEL-LPHOPBHVSA-N 1 0 364.493 3.705 1 0 FHAFRO CN(C(=O)C(C)(C)C)[C@H]1CC[C@H]([C@H]([NH3+])Cc2cc(F)ccc2F)CC1 ZINC000101403205 222272794 /nfs/dbraw/zinc/27/27/94/222272794.db2.gz XUVZILXTMHUZNS-RPVQJOFSSA-N 1 0 352.469 3.898 1 0 FHAFRO Cc1ccc(C=C2C[NH2+]CC3C2=NC(=S)N[C@H]3c2ccc(C)cc2)cc1 ZINC000101679938 222280830 /nfs/dbraw/zinc/28/08/30/222280830.db2.gz KTONFTMVDHRYIE-OBXYEHHASA-N 1 0 361.514 3.763 1 0 FHAFRO Cn1c2ccccc2s/c1=N\C=C\c1sc2ccc(F)cc2[n+]1C ZINC000169323928 222560958 /nfs/dbraw/zinc/56/09/58/222560958.db2.gz PVSNTEVZHCBOCG-UHFFFAOYSA-N 1 0 356.471 3.990 1 0 FHAFRO CC[NH+]1CCN(c2cc(SC(C)C)nc(-c3ccc(OC)cc3)n2)CC1 ZINC000000631249 521696333 /nfs/dbraw/zinc/69/63/33/521696333.db2.gz IZGSUERWAGXCGI-UHFFFAOYSA-N 1 0 372.538 3.795 3 0 FHAFRO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccccc1 ZINC000064274665 212036723 /nfs/dbraw/zinc/03/67/23/212036723.db2.gz KCZQVDUNRPTDJR-FQEVSTJZSA-N 1 0 358.507 3.582 1 0 FHAFRO CCCCN1CC2(CC[NH+](CCc3c[nH]c4ccccc34)CC2)OC1=O ZINC000028761522 211497553 /nfs/dbraw/zinc/49/75/53/211497553.db2.gz MQXQUZMDJJLHLD-UHFFFAOYSA-N 1 0 355.482 3.797 1 0 FHAFRO CN1CC[NH+](C[C@H](c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1 ZINC000022942492 211371338 /nfs/dbraw/zinc/37/13/38/211371338.db2.gz LGRZVDOIDOOMRO-GOSISDBHSA-N 1 0 370.459 3.732 1 0 in-vitro FHAFRO c1ccc2c(c1)[nH]c1c2CCN(CC[NH+]2CCCCC2)[C@@H]1c1cccnc1 ZINC000022913119 211368259 /nfs/dbraw/zinc/36/82/59/211368259.db2.gz DERUGECTQBSXDP-HSZRJFAPSA-N 1 0 360.505 3.996 1 0 FHAFRO C[C@@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC[NH2+]1 ZINC000014970895 211109546 /nfs/dbraw/zinc/10/95/46/211109546.db2.gz ROYXMGVXIACORO-CYBMUJFWSA-N 1 0 353.857 3.590 1 0 FHAFRO COc1cc2c(cc1OC)Cc1[nH]c3ccccc3c1CC[N@H+](C)CC2 ZINC000013808576 211060392 /nfs/dbraw/zinc/06/03/92/211060392.db2.gz ILLDXVCWSLGVJR-UHFFFAOYSA-N 1 0 350.462 3.806 1 0 FHAFRO CC(C)NC(=O)CSC[C@@H]1C[N@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013677519 211049213 /nfs/dbraw/zinc/04/92/13/211049213.db2.gz GPNABXAHBDYHFE-DOTOQJQBSA-N 1 0 354.947 3.633 1 0 FHAFRO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000013684904 211049299 /nfs/dbraw/zinc/04/92/99/211049299.db2.gz FLDYOAPQWUARBK-SFHVURJKSA-N 1 0 366.914 3.620 1 0 FHAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[N@H+](C)CCc1ccccn1)O2 ZINC000013651339 211045643 /nfs/dbraw/zinc/04/56/43/211045643.db2.gz HFFHVLHCRKCOOJ-JOCHJYFZSA-N 1 0 354.494 3.971 1 0 FHAFRO C[N@@H+]1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 ZINC000013607551 211042779 /nfs/dbraw/zinc/04/27/79/211042779.db2.gz AEPVZNANVLFOQO-KRWDZBQOSA-N 1 0 369.490 3.605 1 0 FHAFRO CCOC(=O)[C@@H]1Cc2ccccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000013491893 211035071 /nfs/dbraw/zinc/03/50/71/211035071.db2.gz QLYZEQUNVZDFRM-NRFANRHFSA-N 1 0 365.473 3.682 1 0 FHAFRO NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC4CCCC4)c3O)nc2cc1F ZINC000013444367 211034075 /nfs/dbraw/zinc/03/40/75/211034075.db2.gz HGCWQYNOYKMTPT-UHFFFAOYSA-N 1 0 354.385 3.680 1 0 FHAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3ccccc3n2)C1C(=O)OC ZINC000001394532 210348591 /nfs/dbraw/zinc/34/85/91/210348591.db2.gz PNHPSZLBKCQLRM-CQGUWYRNSA-N 1 0 352.390 3.656 1 0 FHAFRO CC[NH+](CC)CCOc1ccc(-c2cc(=O)c3ccccc3n2C)cc1 ZINC000066104495 221241060 /nfs/dbraw/zinc/24/10/60/221241060.db2.gz NARHLFKWCNREFH-UHFFFAOYSA-N 1 0 350.462 3.926 1 0 FHAFRO C[N@@H+]1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O ZINC000071316962 221341096 /nfs/dbraw/zinc/34/10/96/221341096.db2.gz YEFYNZHDZSJWCN-QGZVFWFLSA-N 1 0 367.880 3.735 1 0 FHAFRO O=C(Nc1ccccc1N1CC[NH2+]CC1)c1csc(-c2cccs2)n1 ZINC000084671481 132199182 /nfs/dbraw/zinc/19/91/82/132199182.db2.gz HNSQYHZQAVDPGG-UHFFFAOYSA-N 1 0 370.503 3.534 1 0 FHAFRO O=c1nc(-c2ccccc2)c2oc3ccccc3c2n1CC[NH+]1CCCC1 ZINC000096909994 222137223 /nfs/dbraw/zinc/13/72/23/222137223.db2.gz MWXBGVOTQLOEGK-UHFFFAOYSA-N 1 0 359.429 3.906 1 0 FHAFRO CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(F)cc2F)C1 ZINC000096917472 222138735 /nfs/dbraw/zinc/13/87/35/222138735.db2.gz PSXAUHKFMLAJCF-UHFFFAOYSA-N 1 0 362.424 3.917 1 0 FHAFRO CCN(C(=O)c1ccccc1OCc1ccccc1)[C@H]1CCC[C@H]([NH3+])C1 ZINC000096940043 222144573 /nfs/dbraw/zinc/14/45/73/222144573.db2.gz FXOYOOYJFZTVMN-OALUTQOASA-N 1 0 352.478 3.998 1 0 FHAFRO COc1cccc(CCC(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)c1OC ZINC000103236411 222327887 /nfs/dbraw/zinc/32/78/87/222327887.db2.gz TUKSWFLHFRJGMM-UHFFFAOYSA-N 1 0 365.433 3.714 1 0 FHAFRO CO[C@H]1CC[C@](C)([NH+]2CCC(N3c4cc(C)ccc4CC3=O)CC2)CC1 ZINC000101638168 222279248 /nfs/dbraw/zinc/27/92/48/222279248.db2.gz ZCMNJNNUKNOUAH-IQGASKDCSA-N 1 0 356.510 3.696 1 0 FHAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1CCC3 ZINC000000598506 525701986 /nfs/dbraw/zinc/70/19/86/525701986.db2.gz CRMFDTIZXDELMK-UHFFFAOYSA-N 1 0 374.532 3.964 1 0 FHAFRO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1C(=O)C(F)(F)F ZINC000005141695 210228486 /nfs/dbraw/zinc/22/84/86/210228486.db2.gz LGDVQVMXSNNSGI-SNVBAGLBSA-N 1 0 355.360 3.528 1 0 FHAFRO O=C1c2ccc(Br)cc2-[n+]2ccc3c4ccccc4[nH]c3c21 ZINC000015214338 210182281 /nfs/dbraw/zinc/18/22/81/210182281.db2.gz PTIZIDHSSRNUKQ-UHFFFAOYSA-O 1 0 350.195 3.905 1 0 FHAFRO CC(=O)c1ccc(O[C@]2(C)CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000061908097 212027050 /nfs/dbraw/zinc/02/70/50/212027050.db2.gz WSBXRHGAPKITNZ-JOCHJYFZSA-N 1 0 367.445 3.704 3 0 FHAFRO C[N@@H+]1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000058594102 212012557 /nfs/dbraw/zinc/01/25/57/212012557.db2.gz HDRKKGULQPRYBL-TUACAJSNSA-N 1 0 356.469 3.853 1 0 in-vivo FHAFRO O=S(=O)(Cc1ccc2c(c1)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000049116590 211885298 /nfs/dbraw/zinc/88/52/98/211885298.db2.gz DIBPPQTZLFRDLN-UHFFFAOYSA-N 1 0 351.471 3.502 1 0 FHAFRO CC(C)NC(=O)CSC[C@H]1C[N@H+](C)CC[C@H]1c1ccc(Cl)cc1 ZINC000013677493 220084919 /nfs/dbraw/zinc/08/49/19/220084919.db2.gz GPNABXAHBDYHFE-WBVHZDCISA-N 1 0 354.947 3.633 1 0 FHAFRO [NH3+][C@@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1ccc(F)cc1Cl ZINC000028899542 211501737 /nfs/dbraw/zinc/50/17/37/211501737.db2.gz NPRMBEFOHOIZLG-GDBMZVCRSA-N 1 0 374.872 3.929 1 0 FHAFRO CC[NH+](CC)CCCN1C(=O)CS[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000028713231 211495890 /nfs/dbraw/zinc/49/58/90/211495890.db2.gz DYMVOTRZSWBAMA-OFGIBPIPSA-N 1 0 350.572 3.836 1 0 FHAFRO O=S(=O)(c1ccc(F)c(F)c1)n1cc(C2=CCC[NH2+]C2)c2ccccc21 ZINC000028526368 211492403 /nfs/dbraw/zinc/49/24/03/211492403.db2.gz SJEXHCXVYRSGOK-UHFFFAOYSA-N 1 0 374.412 3.533 1 0 FHAFRO CC[NH+](CC)CCN[C@H]1c2cccnc2COc2ccc(OC(C)C)cc21 ZINC000022942250 211370228 /nfs/dbraw/zinc/37/02/28/211370228.db2.gz HUAXUZOETALDFC-QFIPXVFZSA-N 1 0 369.509 3.782 1 0 FHAFRO COc1cc2c(cc1OC)Sc1ccccc1[C@@H]([NH+]1CCN(C)CC1)C2 ZINC000022460901 211350714 /nfs/dbraw/zinc/35/07/14/211350714.db2.gz DAPHHFZZMZLBQM-KRWDZBQOSA-N 1 0 370.518 3.700 1 0 FHAFRO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329714 211275666 /nfs/dbraw/zinc/27/56/66/211275666.db2.gz CRBUWGABDPXDNM-CQSZACIVSA-N 1 0 357.845 3.834 1 0 FHAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2nc3ccccc3[nH]2)C1C(=O)OCC ZINC000019782204 211254657 /nfs/dbraw/zinc/25/46/57/211254657.db2.gz BQQKUFSBVPHZQM-JFPYRBRCSA-N 1 0 369.421 3.764 1 0 FHAFRO C[N@H+](C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C(C)(C)C ZINC000013738799 211055478 /nfs/dbraw/zinc/05/54/78/211055478.db2.gz LDYQURJWCGZMCC-IBGZPJMESA-N 1 0 370.537 3.860 1 0 FHAFRO O=C(Cc1ccc2c(c1)CCCCC2=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000013738793 211055532 /nfs/dbraw/zinc/05/55/32/211055532.db2.gz WKOBBCOVPVULHK-FQEVSTJZSA-N 1 0 368.521 3.615 1 0 FHAFRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(SCc2ccccc2)cc1 ZINC000013608949 211043292 /nfs/dbraw/zinc/04/32/92/211043292.db2.gz CWXAUEUPNZECCE-FQEVSTJZSA-N 1 0 352.503 3.803 1 0 FHAFRO CCOC(=O)Cc1ccc2c(C)cc(Oc3ccc(C(N)=[NH2+])cc3)nc2c1 ZINC000013535216 211036833 /nfs/dbraw/zinc/03/68/33/211036833.db2.gz WBWIFXJZONDKLP-UHFFFAOYSA-N 1 0 363.417 3.725 1 0 FHAFRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 ZINC000013451333 211034895 /nfs/dbraw/zinc/03/48/95/211034895.db2.gz LDYMIBZOCSHLBG-WBAXXEDZSA-N 1 0 360.885 3.583 1 0 FHAFRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2c1OC1(C2)CCCCC1 ZINC000013451311 211034804 /nfs/dbraw/zinc/03/48/04/211034804.db2.gz AERMVUPJHDNYRW-SFHVURJKSA-N 1 0 374.912 3.802 1 0 FHAFRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 ZINC000013451329 211033716 /nfs/dbraw/zinc/03/37/16/211033716.db2.gz LDYMIBZOCSHLBG-FHLIZLRMSA-N 1 0 360.885 3.583 1 0 FHAFRO COC(C(=O)OCC[C@H]1CCC[N@@H+]1C)(c1ccccc1)c1ccccc1 ZINC000002032993 210376711 /nfs/dbraw/zinc/37/67/11/210376711.db2.gz OVTSPRWPWDXYLZ-HXUWFJFHSA-N 1 0 353.462 3.604 1 0 FHAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1 ZINC000068151795 221314383 /nfs/dbraw/zinc/31/43/83/221314383.db2.gz XIWFPNSSTOCGHV-GOSISDBHSA-N 1 0 359.473 3.926 1 0 FHAFRO O[C@@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000169334383 132261399 /nfs/dbraw/zinc/26/13/99/132261399.db2.gz PPOROOFLUNLTLP-GOTSBHOMSA-N 1 0 359.473 3.679 1 0 FHAFRO CC[C@H](C)C[N@@H+]1CCN(c2cc(NC(=O)c3cccs3)ccn2)[C@@H](C)C1 ZINC000169295967 132261636 /nfs/dbraw/zinc/26/16/36/132261636.db2.gz SHPAVHNYNUXNEN-HOTGVXAUSA-N 1 0 372.538 3.952 1 0 FHAFRO O=C(O[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCc2ccccc2N1c1ccccc1 ZINC000013674417 132869686 /nfs/dbraw/zinc/86/96/86/132869686.db2.gz RNBJISATPAUHAD-VXKWHMMOSA-N 1 0 362.473 3.777 1 0 FHAFRO Cc1cccc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)CC2)c1C ZINC000072186521 136143858 /nfs/dbraw/zinc/14/38/58/136143858.db2.gz PCAKLYVAMLYPSH-UHFFFAOYSA-N 1 0 363.461 3.986 1 0 FHAFRO CC(C)[N@H+](C)C[C@@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000096903465 222137906 /nfs/dbraw/zinc/13/79/06/222137906.db2.gz RTSPQNYEIWFBCP-MRXNPFEDSA-N 1 0 352.272 3.682 1 0 FHAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3ccccc3n2)C1C(=O)OC ZINC000101668370 222280249 /nfs/dbraw/zinc/28/02/49/222280249.db2.gz PNHPSZLBKCQLRM-BDBAMQCISA-N 1 0 352.390 3.656 1 0 FHAFRO COc1ccc2nc(C(F)(F)F)cc([C@H](O)C[C@@H]3CCCC[NH2+]3)c2c1 ZINC000169334020 222564200 /nfs/dbraw/zinc/56/42/00/222564200.db2.gz JBOMJJNUUWGZGW-MEDUHNTESA-N 1 0 354.372 3.828 1 0 FHAFRO NC(=[NH2+])CCCC[C@@H]1C(=O)O[C@H]2Cc3ccc(-c4ccc(O)cc4)cc3[C@@H]21 ZINC000027517224 581097266 /nfs/dbraw/zinc/09/72/66/581097266.db2.gz SPTBONQCVLNHFD-CUWPLCDZSA-N 1 0 364.445 3.737 1 0 FHAFRO C[NH+]1CCC(c2n[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 ZINC000000587656 210250025 /nfs/dbraw/zinc/25/00/25/210250025.db2.gz IMRMDLZGICUAAD-UHFFFAOYSA-N 1 0 352.413 3.764 1 0 FHAFRO FC(F)(F)c1cc(CN2CC3(C2)CC[NH2+]CC3)cc(C(F)(F)F)c1 ZINC000064672405 212041771 /nfs/dbraw/zinc/04/17/71/212041771.db2.gz FPQRLDWHOLFGPF-UHFFFAOYSA-N 1 0 352.322 3.910 1 0 FHAFRO COc1ccc(S(=O)(=O)Nc2ccc3[nH]c4cc[nH+]cc4c3c2)cc1 ZINC000064560244 212040786 /nfs/dbraw/zinc/04/07/86/212040786.db2.gz CGBQEZLIPYHOEO-UHFFFAOYSA-N 1 0 353.403 3.526 1 0 FHAFRO C[C@@H]1CCC[N@@H+]1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O ZINC000059114028 212014798 /nfs/dbraw/zinc/01/47/98/212014798.db2.gz PESOUNLSPHQJGL-MRXNPFEDSA-N 1 0 352.453 3.975 1 0 FHAFRO C[C@H](Oc1ccccc1)C(=O)N(C[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000040413559 211744204 /nfs/dbraw/zinc/74/42/04/211744204.db2.gz VBUBJABPLJFWFA-JKSUJKDBSA-N 1 0 358.869 3.893 1 0 FHAFRO CC[NH+](CC)CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 ZINC000027999214 211476655 /nfs/dbraw/zinc/47/66/55/211476655.db2.gz PBKDIZDDELFTGW-RHSMWYFYSA-N 1 0 350.890 3.830 1 0 FHAFRO CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)[NH+]2CCN(C)CC2)cc1 ZINC000022939501 211371778 /nfs/dbraw/zinc/37/17/78/211371778.db2.gz ADYWDZJRWKEHMW-JOCHJYFZSA-N 1 0 365.521 3.505 1 0 FHAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)[NH+]2CCN(C)CC2)cc1 ZINC000022939498 211370527 /nfs/dbraw/zinc/37/05/27/211370527.db2.gz ADYWDZJRWKEHMW-QFIPXVFZSA-N 1 0 365.521 3.505 1 0 FHAFRO CCc1ccc2c(c1)Sc1ccccc1C[C@H]2[NH+]1CCN(CCO)CC1 ZINC000022460979 211350947 /nfs/dbraw/zinc/35/09/47/211350947.db2.gz YJGMFENLTLLHOG-HXUWFJFHSA-N 1 0 368.546 3.607 1 0 FHAFRO CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCC[NH2+]CC2)cc1 ZINC000022450777 211350513 /nfs/dbraw/zinc/35/05/13/211350513.db2.gz LRPPPKQPCRCVLI-JOCHJYFZSA-N 1 0 365.521 3.553 1 0 FHAFRO Cc1noc(C)c1-c1ccc2ncnc(NC[C@H]3CCCC[N@H+]3C)c2c1 ZINC000013828601 211061236 /nfs/dbraw/zinc/06/12/36/211061236.db2.gz VBBQLTUTNDYBQT-MRXNPFEDSA-N 1 0 351.454 3.798 3 0 FHAFRO CCOc1ccc(NC(=O)c2ccc(OC)c(CCC[NH+](C)C)c2)cc1 ZINC000013737807 211055945 /nfs/dbraw/zinc/05/59/45/211055945.db2.gz IXAAYRLBFVQNCW-UHFFFAOYSA-N 1 0 356.466 3.840 1 0 FHAFRO O=C1O[C@H](Cn2cc[n+]3ccccc23)CC1(c1ccccc1)c1ccccc1 ZINC000013651189 211046152 /nfs/dbraw/zinc/04/61/52/211046152.db2.gz DMEZMQFKTRTUQC-NRFANRHFSA-N 1 0 369.444 3.529 1 0 FHAFRO Clc1cc2nc(N3CC[NH2+]CC3)n(Cc3ccccc3)c2cc1Cl ZINC000001540567 210360523 /nfs/dbraw/zinc/36/05/23/210360523.db2.gz XFUOIMWLAPSVGQ-UHFFFAOYSA-N 1 0 361.276 3.801 1 0 FHAFRO CC[NH+]1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072102459 221404441 /nfs/dbraw/zinc/40/44/41/221404441.db2.gz QCIGKPBSWYHWEW-SFHVURJKSA-N 1 0 364.415 3.659 1 0 FHAFRO COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)C[C@H](OC)C(=[NH2+])N2)cc1 ZINC000096906041 222138201 /nfs/dbraw/zinc/13/82/01/222138201.db2.gz XBWQSEBJKSPBBV-JTHBVZDNSA-N 1 0 373.456 3.777 1 0 FHAFRO CCCC[NH2+]CCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000103290703 222331434 /nfs/dbraw/zinc/33/14/34/222331434.db2.gz SVUVLEQILUJWMF-UHFFFAOYSA-N 1 0 353.418 3.934 1 0 FHAFRO Cc1ccc(C(N)=O)cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000101363778 222272270 /nfs/dbraw/zinc/27/22/70/222272270.db2.gz JTJFSCIURFCZGE-PMOLBWCYSA-N 1 0 350.462 3.668 1 0 FHAFRO Cc1n[nH]c2ccc(-c3cncc(NC[C@@H]([NH3+])Cc4ccccc4)c3)cc12 ZINC000014957892 581091662 /nfs/dbraw/zinc/09/16/62/581091662.db2.gz AIGXEZVGFUERRR-IBGZPJMESA-N 1 0 357.461 3.915 1 0 FHAFRO c1ccc2c(c1)[nH]nc2-c1nc2cc(OCCC[NH+]3CCCC3)ccc2[nH]1 ZINC000036176871 581092508 /nfs/dbraw/zinc/09/25/08/581092508.db2.gz GFMYTWVSAZEZRD-UHFFFAOYSA-N 1 0 361.449 3.971 1 0 FHAFRO CC[N@@H+]1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3C[C@@H]12 ZINC000029225732 581095435 /nfs/dbraw/zinc/09/54/35/581095435.db2.gz PVMNTYXKDFRXKP-IRLDBZIGSA-N 1 0 350.462 3.883 1 0 FHAFRO CC(C)C[N@H+]1CCC(=O)N([C@H](COc2ccccc2)c2ccccc2)CC1 ZINC000012474507 220000220 /nfs/dbraw/zinc/00/02/20/220000220.db2.gz ACQDLKRDWAJZDZ-JOCHJYFZSA-N 1 0 366.505 3.997 3 0 FHAFRO C[C@H](CC[NH3+])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013582103 220076289 /nfs/dbraw/zinc/07/62/89/220076289.db2.gz PEAFVGSJDSBIIY-VEPRGJRUSA-N 1 0 363.586 3.962 1 0 FHAFRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000013743275 220092070 /nfs/dbraw/zinc/09/20/70/220092070.db2.gz IBIJVXMFUOIWEP-MRXNPFEDSA-N 1 0 350.384 3.614 1 0 FHAFRO CCCC[C@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000013740710 220092336 /nfs/dbraw/zinc/09/23/36/220092336.db2.gz XPLDMBFWNMAYJN-YYFZDKIDSA-N 1 0 351.494 3.733 1 0 FHAFRO Fc1ccc([C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000013776977 220093038 /nfs/dbraw/zinc/09/30/38/220093038.db2.gz HAHQKXHPHSTOFJ-DSLXNQLJSA-N 1 0 355.409 3.858 1 0 FHAFRO Oc1ccc2c(c1)O[C@H](C[NH2+]CCCOc1ccc3cccnc3c1)CC2 ZINC000013775920 220093153 /nfs/dbraw/zinc/09/31/53/220093153.db2.gz CPMKULWZFNXOBS-FQEVSTJZSA-N 1 0 364.445 3.693 1 0 FHAFRO NC(=[NH2+])c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4)cc3)c2c1 ZINC000013835115 220096739 /nfs/dbraw/zinc/09/67/39/220096739.db2.gz FLSZLISCSUXQSF-UHFFFAOYSA-N 1 0 354.413 3.870 1 0 FHAFRO C[C@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C[C@H](C)[NH2+]1 ZINC000014970913 220136833 /nfs/dbraw/zinc/13/68/33/220136833.db2.gz UURQEFJLVUODIL-KBPBESRZSA-N 1 0 367.884 3.979 1 0 FHAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)=CC2 ZINC000019359249 220254048 /nfs/dbraw/zinc/25/40/48/220254048.db2.gz AWAFRJRSKSTLHU-OALUTQOASA-N 1 0 354.494 3.525 1 0 FHAFRO CNC(=O)c1ccc(Oc2ccc(C[NH2+]CCc3ccccc3)cc2)nc1 ZINC000028826390 220585917 /nfs/dbraw/zinc/58/59/17/220585917.db2.gz PYVSBJWAXXPDJO-UHFFFAOYSA-N 1 0 361.445 3.566 1 0 in-vitro FHAFRO O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000049068807 221019324 /nfs/dbraw/zinc/01/93/24/221019324.db2.gz BGLAQBRFGVAOTM-UHFFFAOYSA-N 1 0 361.848 3.947 1 0 FHAFRO Cc1nc(C(=O)Nc2ccc(N3CC[C@H]([N@H+]4CCC[C@@H]4C)C3)cc2C)co1 ZINC000059263159 221124951 /nfs/dbraw/zinc/12/49/51/221124951.db2.gz SJCPAVQYCMSYEE-YJBOKZPZSA-N 1 0 368.481 3.607 1 0 FHAFRO Fc1cc(F)cc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)c1 ZINC000066251252 221242753 /nfs/dbraw/zinc/24/27/53/221242753.db2.gz UHMWXISCXFLVSK-UHFFFAOYSA-N 1 0 364.465 3.938 1 0 FHAFRO C[NH+]1CCN(c2ccc(-c3cnc4c(-c5ccccc5)cnn4c3)cc2)CC1 ZINC000096927003 132226628 /nfs/dbraw/zinc/22/66/28/132226628.db2.gz CRGMZDXJWHXPDI-UHFFFAOYSA-N 1 0 369.472 3.815 1 0 FHAFRO Fc1ccc(N2CC[NH+](CCCOc3ccc4c(c3)CCC4)CC2)cc1 ZINC000005161917 132377639 /nfs/dbraw/zinc/37/76/39/132377639.db2.gz DQAHJZNZWUQWQQ-UHFFFAOYSA-N 1 0 354.469 3.906 1 0 FHAFRO Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)cc2)c2c3nc[nH]c3ccc2n1 ZINC000052753763 136124609 /nfs/dbraw/zinc/12/46/09/136124609.db2.gz VLBVPZGZVHNXFH-UHFFFAOYSA-N 1 0 372.476 3.915 1 0 FHAFRO c1[nH]c2ccc(-c3cncnc3)cc2c1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC000073129648 136149822 /nfs/dbraw/zinc/14/98/22/136149822.db2.gz UJVOMAAEEVUSBV-UHFFFAOYSA-N 1 0 355.445 3.702 1 0 FHAFRO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)cc1 ZINC000101366352 222272066 /nfs/dbraw/zinc/27/20/66/222272066.db2.gz NBCIMSDAMDKCQO-CEQLMSFQSA-N 1 0 350.462 3.668 1 0 FHAFRO [NH3+][C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)CC1 ZINC000101556567 222278174 /nfs/dbraw/zinc/27/81/74/222278174.db2.gz ZDXQLMBSNKHXCJ-TXEJJXNPSA-N 1 0 374.851 3.947 1 0 FHAFRO C[NH2+][C@H]1[C@@H]2CCC[C@]23C[C@]24C[C@H]1CC[C@@]23[C@H](O)C[C@]1(C)CCC[C@@]4(O)C1 ZINC000085547443 291076648 /nfs/dbraw/zinc/07/66/48/291076648.db2.gz JKQIHFCAOYBZNP-SQGGDDTHSA-N 1 0 359.554 3.627 1 0 biogenic,in-vitro FHAFRO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@@H]2Cc3occc3C(=O)C2)CC1 ZINC000013471701 220068027 /nfs/dbraw/zinc/06/80/27/220068027.db2.gz XFBPGUPMMWBWAS-AWEZNQCLSA-N 1 0 355.409 3.759 1 0 FHAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C\Br)cc1)[N@@H+]2C ZINC000013559568 220073952 /nfs/dbraw/zinc/07/39/52/220073952.db2.gz QRRDJSMVPRYYBA-YRVSDYCQSA-N 1 0 364.283 3.792 1 0 FHAFRO O=c1[nH]c(CCC[N@H+]2CC=C(c3ccc(F)cc3)CC2)nc2ccccc21 ZINC000013581578 220076527 /nfs/dbraw/zinc/07/65/27/220076527.db2.gz JFSNQOXGPKPECX-UHFFFAOYSA-N 1 0 363.436 3.784 1 0 FHAFRO C[NH+](C)CCNC(=O)c1cccc2nc3c(nc21)-c1cccc2cccc-3c12 ZINC000013586910 220077098 /nfs/dbraw/zinc/07/70/98/220077098.db2.gz LJBJBWNIOGGLIE-UHFFFAOYSA-N 1 0 368.440 3.722 1 0 FHAFRO CCC[C@@H](C(=O)c1ccc(I)cc1)[NH+]1CCCC1 ZINC000013682054 220084724 /nfs/dbraw/zinc/08/47/24/220084724.db2.gz QXBWECFEEZMKTN-AWEZNQCLSA-N 1 0 357.235 3.738 1 0 in-vivo FHAFRO C[NH+](C)C[C@H]1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1 ZINC000013833924 220096489 /nfs/dbraw/zinc/09/64/89/220096489.db2.gz WCIFNJXQCFHSLO-SFHVURJKSA-N 1 0 360.841 3.806 1 0 FHAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1OCC(F)(F)F ZINC000028218936 220560821 /nfs/dbraw/zinc/56/08/21/220560821.db2.gz OBVKWEULMVEUGZ-NSHDSACASA-N 1 0 357.376 3.724 1 0 FHAFRO CCC[N@@H+]1CCC[C@@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049069270 221019412 /nfs/dbraw/zinc/01/94/12/221019412.db2.gz AVVYPTYKGGWLGP-OAHLLOKOSA-N 1 0 358.507 3.571 1 0 FHAFRO CC(C)CNC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000061908798 221137177 /nfs/dbraw/zinc/13/71/77/221137177.db2.gz FXNQRDCCMYTWIM-QGZVFWFLSA-N 1 0 358.404 3.712 3 0 FHAFRO C[NH+]1CCC(Oc2ccc(C(=O)c3cc4cc(O)ccc4[nH]3)cc2)CC1 ZINC000066078923 221240509 /nfs/dbraw/zinc/24/05/09/221240509.db2.gz ZKBBAPDCDVDARR-UHFFFAOYSA-N 1 0 350.418 3.578 1 0 FHAFRO CC(C)CC[N@H+]1C[C@@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000066167105 221242936 /nfs/dbraw/zinc/24/29/36/221242936.db2.gz POXPJZRJBSECAL-ALOPSCKCSA-N 1 0 355.309 3.947 1 0 FHAFRO Nc1ccccc1NC(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000095572663 221961261 /nfs/dbraw/zinc/96/12/61/221961261.db2.gz BMJXULJVUYCAJY-UHFFFAOYSA-N 1 0 367.280 3.877 1 0 FHAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccnc1 ZINC000096922465 222139875 /nfs/dbraw/zinc/13/98/75/222139875.db2.gz YDGOIAYLQWVZCN-FXAWDEMLSA-N 1 0 364.493 3.705 1 0 FHAFRO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(C(N)=O)c1 ZINC000101363776 222271565 /nfs/dbraw/zinc/27/15/65/222271565.db2.gz LJTNAYABPZKATH-KXTWHKPSSA-N 1 0 350.462 3.668 1 0 FHAFRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCC[C@@H]2C1 ZINC000013451337 220068204 /nfs/dbraw/zinc/06/82/04/220068204.db2.gz ZIAMDRHEQRSMSY-XUWXXGDYSA-N 1 0 360.885 3.583 1 0 FHAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CC=CC1 ZINC000013449180 220068266 /nfs/dbraw/zinc/06/82/66/220068266.db2.gz MKUSUAHBXSHVJF-OAHLLOKOSA-N 1 0 353.293 3.789 1 0 FHAFRO Cc1ccc2c(c1)[C@@H](O)[C@H]([NH+]1CCC(c3cccc4c3OCCO4)CC1)C2 ZINC000013471802 220068355 /nfs/dbraw/zinc/06/83/55/220068355.db2.gz FIMQQCSPXAMCSD-IFMALSPDSA-N 1 0 365.473 3.604 1 0 FHAFRO CCOC(=O)[C@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000013491914 220069549 /nfs/dbraw/zinc/06/95/49/220069549.db2.gz OYVHGIIMTHUYCL-FQEVSTJZSA-N 1 0 351.446 3.812 1 0 FHAFRO O=c1[nH]c(CCC[N@H+]2CC=C(c3ccccc3)CC2)nc2cccc(F)c21 ZINC000013581542 220075612 /nfs/dbraw/zinc/07/56/12/220075612.db2.gz AGWUKGSYPXFPSJ-UHFFFAOYSA-N 1 0 363.436 3.784 1 0 FHAFRO CN(C)c1ccc(C(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000013684716 220085942 /nfs/dbraw/zinc/08/59/42/220085942.db2.gz INHVINJBYGIEBE-LJQANCHMSA-N 1 0 359.901 3.829 1 0 FHAFRO CN(C)c1ccc(C(=O)N[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000013684720 220086353 /nfs/dbraw/zinc/08/63/53/220086353.db2.gz INHVINJBYGIEBE-IBGZPJMESA-N 1 0 359.901 3.829 1 0 FHAFRO NC1=[NH+]C[C@H](Cc2ccc(O)cc2)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000013662149 220081919 /nfs/dbraw/zinc/08/19/19/220081919.db2.gz FLQJADCPCJPEIP-ONUXSRJRSA-N 1 0 353.510 3.540 3 0 FHAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2c(c1)CC(=O)N2 ZINC000013761437 220093561 /nfs/dbraw/zinc/09/35/61/220093561.db2.gz BYHTZWPPZDLFLX-KRWDZBQOSA-N 1 0 364.489 3.784 1 0 FHAFRO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000015073873 220146250 /nfs/dbraw/zinc/14/62/50/220146250.db2.gz FVKAIFNJIJHBMV-MRXNPFEDSA-N 1 0 371.506 3.640 1 0 FHAFRO O=C1c2ccccc2-[n+]2ccc3c4ccc(Br)cc4[nH]c3c21 ZINC000015214340 220149937 /nfs/dbraw/zinc/14/99/37/220149937.db2.gz NDMAFZQZLLBIEF-UHFFFAOYSA-O 1 0 350.195 3.905 1 0 FHAFRO c1ccc(CC[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1 ZINC000015779158 220165674 /nfs/dbraw/zinc/16/56/74/220165674.db2.gz GPTHNIPEPKHMSI-UHFFFAOYSA-N 1 0 374.444 3.550 1 0 FHAFRO COC1=CC=C(C[C@@H]2[NH2+]CCc3c4cc(C)ccc4n(C)c32)C[C@@H]1OC ZINC000026671620 220518782 /nfs/dbraw/zinc/51/87/82/220518782.db2.gz MEAYKEROHTYIJB-RXVVDRJESA-N 1 0 352.478 3.939 1 0 FHAFRO CCCC[C@@H]1CC2(C[C@H](CCCC)[NH2+]1)C(=O)NC(=O)N2c1ccccc1 ZINC000028971263 220590238 /nfs/dbraw/zinc/59/02/38/220590238.db2.gz VWIMYKRRLMTELI-QRTHJKPMSA-N 1 0 357.498 3.983 1 0 FHAFRO C=C(c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C)n1cnc2ccccc21 ZINC000033886617 220752539 /nfs/dbraw/zinc/75/25/39/220752539.db2.gz HAAUBVPBGJLBEO-QGZVFWFLSA-N 1 0 365.477 3.683 1 0 FHAFRO C[C@@H](Oc1ccccc1Cl)C(=O)N(C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000040949625 220925837 /nfs/dbraw/zinc/92/58/37/220925837.db2.gz RRZBMLJADKLFNE-HZPDHXFCSA-N 1 0 358.869 3.893 1 0 FHAFRO Fc1ccc([C@@H]2[NH+]=C(N3CCOCC3)NC3=C2CCc2ccccc23)cc1 ZINC000045254934 220967844 /nfs/dbraw/zinc/96/78/44/220967844.db2.gz OZNDKOIZAIPFGG-FQEVSTJZSA-N 1 0 363.436 3.516 1 0 FHAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1 ZINC000049048802 221017941 /nfs/dbraw/zinc/01/79/41/221017941.db2.gz XXPIPRYYDWMLIM-GJZGRUSLSA-N 1 0 373.382 3.536 1 0 FHAFRO Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([N@H+]4CCC[C@@H]4C)C3)cc2C)on1 ZINC000059263903 221125338 /nfs/dbraw/zinc/12/53/38/221125338.db2.gz ZZHUXSGMUONPBN-WMZOPIPTSA-N 1 0 368.481 3.607 1 0 FHAFRO COCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC000061903726 221135518 /nfs/dbraw/zinc/13/55/18/221135518.db2.gz JJEQROKAKBSZLM-FQEVSTJZSA-N 1 0 366.505 3.718 3 0 FHAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000061896956 221135847 /nfs/dbraw/zinc/13/58/47/221135847.db2.gz GRXVBCINUVIVTM-INIZCTEOSA-N 1 0 371.437 3.786 3 0 FHAFRO CCC[NH+]1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2ncccc2C)CC1 ZINC000061927148 221136606 /nfs/dbraw/zinc/13/66/06/221136606.db2.gz YEUUBTSOVXVSBJ-OAQYLSRUSA-N 1 0 369.484 3.857 3 0 FHAFRO COc1ccc(Nc2nc(Cc3ccccc3)nc3c2CC[NH2+]CC3)cc1 ZINC000096928129 222140913 /nfs/dbraw/zinc/14/09/13/222140913.db2.gz VVLMAZDTUCFVIT-UHFFFAOYSA-N 1 0 360.461 3.508 1 0 FHAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CC)C1C(=O)OCC ZINC000100028087 222233461 /nfs/dbraw/zinc/23/34/61/222233461.db2.gz DTPINYZLNUJBJO-PQMNFKMDSA-N 1 0 362.426 3.747 1 0 FHAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccc(OC)c2)C1C(=O)OCC ZINC000000628410 219306689 /nfs/dbraw/zinc/30/66/89/219306689.db2.gz YWQBSSHDDPKVNB-CQGUWYRNSA-N 1 0 359.422 3.897 1 0 FHAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H](c3ccccc3)c3ccccc31)C2 ZINC000003783657 219525352 /nfs/dbraw/zinc/52/53/52/219525352.db2.gz LSBPGQZSPXOWCV-QYYYHEGRSA-N 1 0 361.489 3.973 1 0 FHAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNc1ccc2nnc(-c3ccccc3)n2n1 ZINC000005051447 219644735 /nfs/dbraw/zinc/64/47/35/219644735.db2.gz CNVCRXUSVMKSFR-IAGOWNOFSA-N 1 0 364.497 3.856 1 0 FHAFRO CN(C)c1ccc(-c2cc3ncccc3c(N(C)CCC[NH+](C)C)n2)cc1 ZINC000013489187 220069307 /nfs/dbraw/zinc/06/93/07/220069307.db2.gz CUBOTXMHIWEQRV-UHFFFAOYSA-N 1 0 363.509 3.751 1 0 FHAFRO Fc1ccc([C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000013776974 220093502 /nfs/dbraw/zinc/09/35/02/220093502.db2.gz HAHQKXHPHSTOFJ-JCHJZTRSSA-N 1 0 355.409 3.858 1 0 FHAFRO NC(=[NH2+])c1ccc2ncn(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1 ZINC000013835117 220097171 /nfs/dbraw/zinc/09/71/71/220097171.db2.gz RZNUGBGSZGDVAX-UHFFFAOYSA-N 1 0 369.428 3.626 1 0 FHAFRO C[C@@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C[C@H](C)[NH2+]1 ZINC000014970909 220137587 /nfs/dbraw/zinc/13/75/87/220137587.db2.gz UURQEFJLVUODIL-OKILXGFUSA-N 1 0 367.884 3.979 1 0 FHAFRO OCC[C@@H]1Cc2ccccc2C2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000053293526 221044877 /nfs/dbraw/zinc/04/48/77/221044877.db2.gz TUFFDFRXRYJTGB-JOCHJYFZSA-N 1 0 365.517 3.934 1 0 FHAFRO O=C(c1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000053293803 221044941 /nfs/dbraw/zinc/04/49/41/221044941.db2.gz QUECJXNZRPXUEO-UHFFFAOYSA-N 1 0 371.868 3.838 1 0 FHAFRO COc1cc2c(cc1OC)[C@H](Cc1cc(=O)oc3cc(C)ccc13)[NH2+]CC2 ZINC000064553217 221147146 /nfs/dbraw/zinc/14/71/46/221147146.db2.gz UYKWGHYFHRWDNE-SFHVURJKSA-N 1 0 365.429 3.548 1 0 FHAFRO COCOc1cccc(C[N@@H+]2CC[C@@](C)(Oc3ccc(C(C)=O)cc3)C2)c1 ZINC000061902700 221135808 /nfs/dbraw/zinc/13/58/08/221135808.db2.gz PMCWJKUXICNUPW-JOCHJYFZSA-N 1 0 369.461 3.915 3 0 FHAFRO CCC[NH+]1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2ncccc2C)CC1 ZINC000061927147 221136482 /nfs/dbraw/zinc/13/64/82/221136482.db2.gz YEUUBTSOVXVSBJ-NRFANRHFSA-N 1 0 369.484 3.857 3 0 FHAFRO COCCNC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(C)c3ccccc23)C1 ZINC000061908511 221136550 /nfs/dbraw/zinc/13/65/50/221136550.db2.gz YEDHLYRTNMJICD-JOCHJYFZSA-N 1 0 354.494 3.513 3 0 FHAFRO O=C(Oc1ccccc1)N1CCC2(CCCN(c3cc[nH+]cc3)C2)CC1 ZINC000003956053 132386132 /nfs/dbraw/zinc/38/61/32/132386132.db2.gz RGUDZQVBCVXLGZ-UHFFFAOYSA-N 1 0 351.450 3.963 1 0 FHAFRO COc1c(C)cc(C[NH+]2CCN(c3ncccc3NC(C)C)CC2)cc1C ZINC000006521975 132832898 /nfs/dbraw/zinc/83/28/98/132832898.db2.gz YRRLYHFCYZQQBT-UHFFFAOYSA-N 1 0 368.525 3.850 1 0 FHAFRO O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1N1CC[NH2+]CC1 ZINC000045192992 136121945 /nfs/dbraw/zinc/12/19/45/136121945.db2.gz DKGQVWOMRVLOOD-UHFFFAOYSA-N 1 0 364.371 3.759 1 0 FHAFRO Cc1ccc(C)c(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)CC2)c1 ZINC000072184884 136143776 /nfs/dbraw/zinc/14/37/76/136143776.db2.gz LQDBHEPIWLVRGD-UHFFFAOYSA-N 1 0 363.461 3.986 1 0 FHAFRO Nc1cccc(NC(=O)NCCC[NH2+]Cc2cc(Cl)cc(Cl)c2)c1 ZINC000095580157 221962903 /nfs/dbraw/zinc/96/29/03/221962903.db2.gz ZPJDIQMKVBQCDB-UHFFFAOYSA-N 1 0 367.280 3.877 1 0 FHAFRO C[C@@H](C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000100001943 222231483 /nfs/dbraw/zinc/23/14/83/222231483.db2.gz GHDWIFTUSXQYGK-FWYOQMDTSA-N 1 0 352.272 3.721 1 0 FHAFRO COC(=O)c1ccc2c(c1)CO[C@@]2(CCC[NH+](C)C)c1ccc(F)cc1 ZINC000103245896 222328152 /nfs/dbraw/zinc/32/81/52/222328152.db2.gz XGZYQVJFZBQTBE-NRFANRHFSA-N 1 0 357.425 3.728 1 0 FHAFRO O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccc(O)c1)c1ccccc1 ZINC000101644930 222279112 /nfs/dbraw/zinc/27/91/12/222279112.db2.gz NNGQTBXHBXQGOX-KXTWHKPSSA-N 1 0 351.446 3.787 1 0 FHAFRO O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccccc1)c1ccccc1 ZINC000101644909 222279370 /nfs/dbraw/zinc/27/93/70/222279370.db2.gz CAELFFAMXVUOKR-BQJUDKOJSA-N 1 0 351.446 3.572 1 0 in-vitro FHAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)[N@@H+]2C/C=C/C[18F] ZINC000102143587 222289855 /nfs/dbraw/zinc/28/98/55/222289855.db2.gz LMVDJMCDHZLBFE-PNMOZHTDSA-N 1 0 350.852 3.975 1 0 FHAFRO CC(C)c1ccc(-c2c(=O)c(=O)c2NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020510300 519833781 /nfs/dbraw/zinc/83/37/81/519833781.db2.gz IPHMFNVTBSZBCI-MRXNPFEDSA-N 1 0 354.494 3.607 1 0 FHAFRO CC1=C2C[C@]3(CN4C[C@@H]4C[NH2+]CCCCO)CC[C@@H](C)[C@@]2(CC1)C3(C)C ZINC000085548306 291076031 /nfs/dbraw/zinc/07/60/31/291076031.db2.gz CJCOYVGFGUSBGU-NOSGSTMVSA-N 1 0 360.586 3.976 1 0 biogenic,in-vitro FHAFRO COc1cc2cc(CCC(C)=O)c3c(c2cc1OC)C[C@@H]1CCC[N@@H+]1C3 ZINC000014829387 291077860 /nfs/dbraw/zinc/07/78/60/291077860.db2.gz FMOOLBLKBMPLJD-KRWDZBQOSA-N 1 0 353.462 3.899 1 0 biogenic,in-vitro FHAFRO O[C@H](CCc1ccccc1)C[NH+]1CCC2(CCc3cc(F)ccc3O2)CC1 ZINC000013472084 220068944 /nfs/dbraw/zinc/06/89/44/220068944.db2.gz JPTJNKGXZCFAFQ-OAQYLSRUSA-N 1 0 369.480 3.979 1 0 FHAFRO [NH2+]=C(C[C@@H](c1ccc(Cl)cc1)c1ccccn1)NCCc1c[nH]cn1 ZINC000013490255 220069624 /nfs/dbraw/zinc/06/96/24/220069624.db2.gz LUDPNDHEIUSERM-KRWDZBQOSA-N 1 0 353.857 3.790 1 0 FHAFRO CO[C@@H](C(=O)N[C@@H](CC[NH+](C)C)c1ccc(Cl)cc1)c1ccccc1 ZINC000013684699 220085529 /nfs/dbraw/zinc/08/55/29/220085529.db2.gz WTIOICFLVWQZCC-RBUKOAKNSA-N 1 0 360.885 3.837 1 0 FHAFRO C[N@H+]1CC=C(c2c[nH]c3ccc(N4C(=O)c5ccccc5C4=O)cc32)CC1 ZINC000013731846 220090789 /nfs/dbraw/zinc/09/07/89/220090789.db2.gz WVMXJALMALVULM-UHFFFAOYSA-N 1 0 357.413 3.687 1 0 FHAFRO CC(C)[NH2+]C[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 ZINC000013731051 220091519 /nfs/dbraw/zinc/09/15/19/220091519.db2.gz PYNHMXVUQLOMJY-HNNXBMFYSA-N 1 0 357.479 3.543 1 0 FHAFRO CCC[N@H+](C/C=C/I)[C@H]1CCc2c(O)cccc2C1 ZINC000013739884 220091970 /nfs/dbraw/zinc/09/19/70/220091970.db2.gz LYFXQSOWXVVQIV-MDDUGHTDSA-N 1 0 371.262 3.910 1 0 FHAFRO C[N@H+](CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c3c(ccc21)CCO3 ZINC000013761409 220093543 /nfs/dbraw/zinc/09/35/43/220093543.db2.gz KXPCINIHFIZOCL-SFHVURJKSA-N 1 0 365.473 3.945 1 0 FHAFRO [NH3+][C@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1ccc(F)cc1Cl ZINC000014958721 220136680 /nfs/dbraw/zinc/13/66/80/220136680.db2.gz NPRMBEFOHOIZLG-ZBFHGGJFSA-N 1 0 374.872 3.929 1 0 FHAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc(NCc2cc(F)cc(F)c2)cc1 ZINC000014966588 220137569 /nfs/dbraw/zinc/13/75/69/220137569.db2.gz SRRWXMSVQYQCRX-UHFFFAOYSA-N 1 0 355.392 3.761 1 0 in-vivo FHAFRO CCOC1(OCC)[C@H]2c3cc(OC)ccc3[C@H]([n+]3ccccc32)C1(C)C ZINC000027517568 220534299 /nfs/dbraw/zinc/53/42/99/220534299.db2.gz AIUHBWFVRAAPLW-PMACEKPBSA-N 1 0 354.470 3.827 1 0 FHAFRO CCOC1(OCC)[C@@H]2c3cccc[n+]3[C@@H](c3cccc(OC)c32)C1(C)C ZINC000027517899 220534648 /nfs/dbraw/zinc/53/46/48/220534648.db2.gz VFHUXKMKHQJWCZ-UXHICEINSA-N 1 0 354.470 3.827 1 0 FHAFRO NCC[NH2+]CCCCCCn1c(-c2ccc(O)cc2)cc2cc(O)ccc21 ZINC000029406203 220604876 /nfs/dbraw/zinc/60/48/76/220604876.db2.gz QWIRUJIAQRWHRG-UHFFFAOYSA-N 1 0 367.493 3.828 1 0 FHAFRO CC[NH+](CC)C[C@H](O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000040918526 220925270 /nfs/dbraw/zinc/92/52/70/220925270.db2.gz GYEMEFWAKNTCTE-KRWDZBQOSA-N 1 0 367.445 3.542 1 0 FHAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]([NH2+]C1CC1)c1ccccc1 ZINC000049036489 221017731 /nfs/dbraw/zinc/01/77/31/221017731.db2.gz SKYALJGMRAGHEN-GOSISDBHSA-N 1 0 367.836 3.613 1 0 in-vitro FHAFRO OC1([C@@H](CN2CC[NH2+]CC2)c2cc(Cl)sc2Cl)CCCCC1 ZINC000049090060 221018716 /nfs/dbraw/zinc/01/87/16/221018716.db2.gz DMULXMAWQFEZSA-ZDUSSCGKSA-N 1 0 363.354 3.739 1 0 FHAFRO CC(C)[NH+]1CCC(c2ccc(-c3nc4c(cccc4C(N)=O)[nH]3)cc2)CC1 ZINC000049071167 221018954 /nfs/dbraw/zinc/01/89/54/221018954.db2.gz XAWRSZTWBZKLHW-UHFFFAOYSA-N 1 0 362.477 3.917 1 0 FHAFRO [NH3+]CCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000049072066 221019067 /nfs/dbraw/zinc/01/90/67/221019067.db2.gz VPWALYHGDSWLPU-HXUWFJFHSA-N 1 0 363.509 3.967 1 0 FHAFRO COc1cc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c(OC)c1 ZINC000098085125 132231808 /nfs/dbraw/zinc/23/18/08/132231808.db2.gz MDRQHCZGZRIHED-UHFFFAOYSA-N 1 0 350.418 3.756 1 0 FHAFRO O[C@H](c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000169334382 132261488 /nfs/dbraw/zinc/26/14/88/132261488.db2.gz PPOROOFLUNLTLP-DHIUTWEWSA-N 1 0 359.473 3.679 1 0 FHAFRO O=C1c2ccccc2C[C@@H]1CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000169350271 132261787 /nfs/dbraw/zinc/26/17/87/132261787.db2.gz CPFAMVVFLCOFSK-KRWDZBQOSA-N 1 0 354.881 3.907 1 0 FHAFRO CC(C)[NH2+]C[C@@H](O)C[C@](O)(c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000084740958 221731384 /nfs/dbraw/zinc/73/13/84/221731384.db2.gz JNUMEIKEYHOYMY-GMAHTHKFSA-N 1 0 355.522 3.969 1 0 FHAFRO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000096902109 222136241 /nfs/dbraw/zinc/13/62/41/222136241.db2.gz LOKCGQMABNKXKB-OAHLLOKOSA-N 1 0 355.825 3.971 3 0 FHAFRO CCC[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccc(C)cc1 ZINC000096903294 222137799 /nfs/dbraw/zinc/13/77/99/222137799.db2.gz WFTRSMOQEDFTCC-LJQANCHMSA-N 1 0 355.478 3.550 1 0 FHAFRO COc1cccc(-c2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)c1 ZINC000096939253 222143352 /nfs/dbraw/zinc/14/33/52/222143352.db2.gz XATHFMDNDYGQFT-UHFFFAOYSA-N 1 0 374.440 3.673 1 0 FHAFRO Clc1ccc([C@H](Cn2cncn2)C[NH+](C2CC2)C2CC2)c(Cl)c1 ZINC000103174521 222322948 /nfs/dbraw/zinc/32/29/48/222322948.db2.gz SBBADDBFZVLNGJ-GFCCVEGCSA-N 1 0 351.281 3.996 1 0 FHAFRO COc1ccc(N2N=[O+]C(=O)C2CNc2cc(Cl)ccc2Cl)cc1 ZINC000103191662 222324556 /nfs/dbraw/zinc/32/45/56/222324556.db2.gz FAJTYAVLFLHHES-UHFFFAOYSA-O 1 0 367.212 3.584 1 0 FHAFRO O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000101644905 222279185 /nfs/dbraw/zinc/27/91/85/222279185.db2.gz CAELFFAMXVUOKR-IVAOSVALSA-N 1 0 351.446 3.572 1 0 FHAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(SCc2ccc(Cl)cc2)c1 ZINC000013740737 581092210 /nfs/dbraw/zinc/09/22/10/581092210.db2.gz GSCGWLDPDDBRPJ-UHFFFAOYSA-N 1 0 373.913 3.818 1 0 FHAFRO Cc1c(-c2ccccc2)n(C)c(=O)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000000592273 219305113 /nfs/dbraw/zinc/30/51/13/219305113.db2.gz BXEHOLVBINGZIE-UHFFFAOYSA-N 1 0 361.489 3.999 1 0 FHAFRO CN1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442729 220067081 /nfs/dbraw/zinc/06/70/81/220067081.db2.gz MCYPZPKNGXNIDO-UHFFFAOYSA-N 1 0 374.893 3.969 1 0 FHAFRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 ZINC000013607549 220078054 /nfs/dbraw/zinc/07/80/54/220078054.db2.gz AEPVZNANVLFOQO-QGZVFWFLSA-N 1 0 369.490 3.605 1 0 FHAFRO Fc1ccc([C@@H]2C[C@H]3CC[C@H]([NH2+]3)[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000013776985 220093044 /nfs/dbraw/zinc/09/30/44/220093044.db2.gz HAHQKXHPHSTOFJ-BVBHFADKSA-N 1 0 355.409 3.858 1 0 FHAFRO COc1cc2ccccc2cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000017701835 220217035 /nfs/dbraw/zinc/21/70/35/220217035.db2.gz MHBUXFIHOVRGPW-HXUWFJFHSA-N 1 0 360.457 3.853 1 0 FHAFRO CC[NH+](CC)CCN[C@@H]1c2cccnc2COc2ccc(OC(C)C)cc21 ZINC000022441271 220386719 /nfs/dbraw/zinc/38/67/19/220386719.db2.gz HUAXUZOETALDFC-JOCHJYFZSA-N 1 0 369.509 3.782 1 0 FHAFRO O=C1NCN(c2ccccc2)C12CC[NH+](C1CCCCCCCC1)CC2 ZINC000027897718 220550931 /nfs/dbraw/zinc/55/09/31/220550931.db2.gz IAUDPLBTMXJMKC-UHFFFAOYSA-N 1 0 355.526 3.918 1 0 FHAFRO O=C(OCCCF)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)[NH2+]2 ZINC000028373277 220573676 /nfs/dbraw/zinc/57/36/76/220573676.db2.gz GBXCFQBRUJWAGV-ZJIFWQFVSA-N 1 0 370.262 3.576 1 0 FHAFRO O=C([C@@H]1C[C@H](Nc2cccc3ccccc32)C[NH2+]1)N1Cc2ccccc2C1 ZINC000040421800 220906980 /nfs/dbraw/zinc/90/69/80/220906980.db2.gz WARLRLQWEAJUET-UGKGYDQZSA-N 1 0 357.457 3.525 1 0 FHAFRO O=C1N(CC[NH+]2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1 ZINC000049045313 221017876 /nfs/dbraw/zinc/01/78/76/221017876.db2.gz GPOXSHFDBBJUJR-UHFFFAOYSA-N 1 0 355.404 3.823 1 0 FHAFRO C[NH2+][C@@H]1CCN(c2nc(C(F)(F)F)nc3c4cc(Cl)ccc4oc32)C1 ZINC000049073407 221019260 /nfs/dbraw/zinc/01/92/60/221019260.db2.gz WBBJYCNZUHEQHO-SECBINFHSA-N 1 0 370.762 3.846 1 0 FHAFRO CCOC(=O)[C@H]1Cc2sccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000053243016 221043426 /nfs/dbraw/zinc/04/34/26/221043426.db2.gz FBGPUQHNRKUKMC-GOSISDBHSA-N 1 0 371.502 3.744 1 0 FHAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccco1 ZINC000059262792 221124871 /nfs/dbraw/zinc/12/48/71/221124871.db2.gz WFSAHCWIQYOYHH-WMZOPIPTSA-N 1 0 353.466 3.903 1 0 FHAFRO COCCNC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(C)c3ccccc23)C1 ZINC000061908512 221137120 /nfs/dbraw/zinc/13/71/20/221137120.db2.gz YEDHLYRTNMJICD-QFIPXVFZSA-N 1 0 354.494 3.513 3 0 FHAFRO COCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000061927415 221136609 /nfs/dbraw/zinc/13/66/09/221136609.db2.gz HWZZIQNXHGBEJF-JOCHJYFZSA-N 1 0 366.505 3.718 3 0 FHAFRO CN(C)C(=O)N1CCC([NH2+][C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072101527 221404191 /nfs/dbraw/zinc/40/41/91/221404191.db2.gz HTRHEHYMVXCUNT-LJQANCHMSA-N 1 0 372.900 3.560 1 0 FHAFRO O=C([C@@H](Cc1ccccc1)c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095556016 132215350 /nfs/dbraw/zinc/21/53/50/132215350.db2.gz IUSILDXGJIMQTD-QHCPKHFHSA-N 1 0 371.484 3.757 1 0 FHAFRO Clc1ccc(-c2ccc(-c3ccnc(N4CC[NH2+]CC4)n3)s2)cc1 ZINC000066258968 136136791 /nfs/dbraw/zinc/13/67/91/136136791.db2.gz BSNUROMRGPNVJY-UHFFFAOYSA-N 1 0 356.882 3.935 1 0 FHAFRO O=C1Nc2ccc(F)cc2[C@H]1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000029055379 136153601 /nfs/dbraw/zinc/15/36/01/136153601.db2.gz IBBIDLLHDNJIPV-LJQANCHMSA-N 1 0 367.468 3.854 1 0 FHAFRO COc1ccccc1-c1ccc2c3c1cccc3C(=O)N(CC[NH+](C)C)C2=O ZINC000096939898 222144525 /nfs/dbraw/zinc/14/45/25/222144525.db2.gz CRVDWSGKJLMDHA-UHFFFAOYSA-N 1 0 374.440 3.673 1 0 FHAFRO CCN(C(=O)c1ccccc1COc1ccccc1)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000096940006 222145139 /nfs/dbraw/zinc/14/51/39/222145139.db2.gz QKMKQBDTUNDHFH-RBUKOAKNSA-N 1 0 352.478 3.998 1 0 FHAFRO COc1cc2c(cc1OCCC[18F])CC[N@@H+]1C[C@@H](CC(C)C)[C@H](O)C[C@H]21 ZINC000100529342 222246078 /nfs/dbraw/zinc/24/60/78/222246078.db2.gz GNKGXQHHUUEYQV-WTHAECTESA-N 1 0 364.492 3.760 1 0 in-man FHAFRO CCC1(CC)C[C@@H](C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)OC1=O ZINC000103202848 222324039 /nfs/dbraw/zinc/32/40/39/222324039.db2.gz FXPSFBYHZCBQKL-INIZCTEOSA-N 1 0 355.482 3.864 1 0 FHAFRO C[C@H](CC[N@@H+]1CCC[C@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc21 ZINC000005493659 263341697 /nfs/dbraw/zinc/34/16/97/263341697.db2.gz XZYWRBPKJXHPIN-ZWKOTPCHSA-N 1 0 374.550 3.971 1 0 FHAFRO CC(C)c1ccc(S(=O)(=O)Cc2ccc([C@@]34C[C@@H]3C[NH2+]C4)cc2)cc1 ZINC000035309413 581093359 /nfs/dbraw/zinc/09/33/59/581093359.db2.gz VYMPWSGDTBOYFF-CTNGQTDRSA-N 1 0 355.503 3.645 1 0 FHAFRO NC(=[NH2+])c1ccc2c(c1)ncn2CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000578837 219305251 /nfs/dbraw/zinc/30/52/51/219305251.db2.gz YWMYHDFGDRTCPV-UHFFFAOYSA-N 1 0 354.413 3.870 1 0 FHAFRO CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1-c1ccc(C[NH3+])cc1 ZINC000085597484 291076095 /nfs/dbraw/zinc/07/60/95/291076095.db2.gz YBUOHQCLSUAANL-GOSISDBHSA-N 1 0 371.477 3.579 1 0 biogenic,in-vitro FHAFRO C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]34CCC[C@@H]3[C@@H]3[NH2+]CCC[C@@H]3C[C@@]14[C@@H](O)C2 ZINC000085547431 291078510 /nfs/dbraw/zinc/07/85/10/291078510.db2.gz CLTUMOCOASTNOP-QESBGPNGSA-N 1 0 359.554 3.627 1 0 biogenic,in-vitro FHAFRO C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4F)nc32)CC1 ZINC000013523638 220070692 /nfs/dbraw/zinc/07/06/92/220070692.db2.gz HUIKYZOZYAWSKD-UHFFFAOYSA-N 1 0 352.413 3.764 1 0 FHAFRO C[NH2+]CCc1ccc(Oc2ccc(F)cc2)c(I)c1 ZINC000013681067 220084021 /nfs/dbraw/zinc/08/40/21/220084021.db2.gz JENBSUFCESWJDB-UHFFFAOYSA-N 1 0 371.193 3.985 1 0 FHAFRO COC1(Cc2ccccc2)CC[NH+]([C@@H](C)[C@@H](O)c2ccc(O)cc2)CC1 ZINC000013742671 220092555 /nfs/dbraw/zinc/09/25/55/220092555.db2.gz RJCAYYVHIYFYOZ-LAUBAEHRSA-N 1 0 355.478 3.538 1 0 FHAFRO O=C(Cc1ccccc1C(F)(F)F)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000013861047 220097927 /nfs/dbraw/zinc/09/79/27/220097927.db2.gz HSPFUIOJKZSLQI-INIZCTEOSA-N 1 0 354.416 3.725 1 0 FHAFRO Fc1ccccc1[C@H](Cc1ccccc1OC(F)(F)F)N1CC[NH2+]CC1 ZINC000049036225 221018152 /nfs/dbraw/zinc/01/81/52/221018152.db2.gz WARUECLCXNMKJR-KRWDZBQOSA-N 1 0 368.374 3.913 1 0 in-vivo FHAFRO Cc1nc(C(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cs1 ZINC000064559110 221147795 /nfs/dbraw/zinc/14/77/95/221147795.db2.gz PXZBMRRYQSNJHN-UHFFFAOYSA-N 1 0 369.534 3.970 1 0 FHAFRO CCc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(OC)c1OC ZINC000071280584 221338604 /nfs/dbraw/zinc/33/86/04/221338604.db2.gz HVRTZAHLKAYPGW-LJQANCHMSA-N 1 0 366.461 3.991 1 0 FHAFRO Cc1cccc(C)c1N1CC[NH+](CC[C@H](OC(N)=O)c2ccccc2)CC1 ZINC000095578464 132215781 /nfs/dbraw/zinc/21/57/81/132215781.db2.gz RHQVQAMQVAIHOE-FQEVSTJZSA-N 1 0 367.493 3.652 1 0 FHAFRO COc1cccc([C@H]2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)CC2)c1 ZINC000100086257 132232519 /nfs/dbraw/zinc/23/25/19/132232519.db2.gz SHEZXZSIBXLQMP-KESTWPANSA-N 1 0 351.494 3.939 1 0 FHAFRO O=C1Cc2cc(CC[NH+]3CCN(c4cccc5ccccc54)CC3)ccc2N1 ZINC000003782398 132385714 /nfs/dbraw/zinc/38/57/14/132385714.db2.gz GEJKYGSJUJTWOZ-UHFFFAOYSA-N 1 0 371.484 3.699 1 0 FHAFRO Cn1cc(-c2nc(N3CC[NH+](C)CC3)nc3ccccc32)c2ccccc21 ZINC000040394470 136119765 /nfs/dbraw/zinc/11/97/65/136119765.db2.gz NAOLDYUSOSJTHJ-UHFFFAOYSA-N 1 0 357.461 3.540 1 0 FHAFRO CN1CCN2c3ccc(Cl)cc3C(c3ccc(Cl)cc3)=[NH+]C[C@@H]2C1 ZINC000040743404 136120532 /nfs/dbraw/zinc/12/05/32/136120532.db2.gz ABTZEFCQMBPXON-MRXNPFEDSA-N 1 0 360.288 3.965 1 0 FHAFRO Cc1c(N[C@H]2CCC[NH2+]C2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 ZINC000095553245 221959742 /nfs/dbraw/zinc/95/97/42/221959742.db2.gz CKAYFBSKGOPXBW-ZDUSSCGKSA-N 1 0 374.851 3.738 1 0 FHAFRO CCC[NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccc(C)cc1 ZINC000096903293 222137890 /nfs/dbraw/zinc/13/78/90/222137890.db2.gz WFTRSMOQEDFTCC-IBGZPJMESA-N 1 0 355.478 3.550 1 0 FHAFRO CCC1(CC)C[C@H](C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)OC1=O ZINC000103202845 222324539 /nfs/dbraw/zinc/32/45/39/222324539.db2.gz FXPSFBYHZCBQKL-MRXNPFEDSA-N 1 0 355.482 3.864 1 0 FHAFRO CNC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000101363799 222272181 /nfs/dbraw/zinc/27/21/81/222272181.db2.gz ANRXIHXQFLKMRJ-KXTWHKPSSA-N 1 0 350.462 3.621 1 0 FHAFRO C[N@H+]1CCC(=O)N([C@H](CSc2ccccc2)Cc2ccccc2)CC1 ZINC000012474519 220000317 /nfs/dbraw/zinc/00/03/17/220000317.db2.gz VTRQINMULFJJRM-IBGZPJMESA-N 1 0 354.519 3.554 3 0 FHAFRO Cc1c2cccc(F)c2oc1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000012705279 220018062 /nfs/dbraw/zinc/01/80/62/220018062.db2.gz HVSGINFZYYBWIM-UHFFFAOYSA-N 1 0 362.470 3.534 3 0 FHAFRO O=c1[nH]c(CCC[N@H+]2CC=C(c3ccc(O)cc3)CC2)nc2ccccc21 ZINC000013581593 220076069 /nfs/dbraw/zinc/07/60/69/220076069.db2.gz VVYGOCQBAQDXOA-UHFFFAOYSA-N 1 0 361.445 3.763 1 0 FHAFRO OCC1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccncc2)CC1 ZINC000013595583 220077012 /nfs/dbraw/zinc/07/70/12/220077012.db2.gz RWEICMQXWXCWCS-UHFFFAOYSA-N 1 0 364.411 3.918 3 0 FHAFRO O=c1[nH]c2ccccc2n1CCC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000013808351 220096157 /nfs/dbraw/zinc/09/61/57/220096157.db2.gz UXHLMDWIXZZQFP-UHFFFAOYSA-N 1 0 367.468 3.814 1 0 FHAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccccc2OC(F)F)C1C(=O)OC ZINC000019800352 220299024 /nfs/dbraw/zinc/29/90/24/220299024.db2.gz IORNLQZROQZEMD-WTNDLDAUSA-N 1 0 367.348 3.709 1 0 FHAFRO COc1cccc2c1C[C@H]([NH2+]CCCc1c[nH]c3ccc(F)cc13)CO2 ZINC000028821542 220586281 /nfs/dbraw/zinc/58/62/81/220586281.db2.gz ICGOJGSVVSAUBL-INIZCTEOSA-N 1 0 354.425 3.842 1 0 FHAFRO Fc1cccc([C@@H](Cc2ccccc2OC(F)(F)F)N2CC[NH2+]CC2)c1 ZINC000049037075 221017597 /nfs/dbraw/zinc/01/75/97/221017597.db2.gz LRKGVRWKYSKWQW-QGZVFWFLSA-N 1 0 368.374 3.913 1 0 in-vitro FHAFRO O=S(=O)(c1cn([C@H]2CC[NH2+]C2)c2ccccc12)c1cccc(Cl)c1 ZINC000049114513 221018749 /nfs/dbraw/zinc/01/87/49/221018749.db2.gz IYJZDLOAWKCXJN-AWEZNQCLSA-N 1 0 360.866 3.662 1 0 FHAFRO Fc1cccc(OC(F)F)c1C[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000049112911 221019055 /nfs/dbraw/zinc/01/90/55/221019055.db2.gz FNRNKAMBXVROAU-QGZVFWFLSA-N 1 0 350.384 3.616 1 0 in-vitro FHAFRO NC(=O)c1ccc(Nc2nc([C@H]([NH3+])c3ccccc3Cl)cs2)cc1 ZINC000061926990 221136952 /nfs/dbraw/zinc/13/69/52/221136952.db2.gz QJGQGFOLFNWUFG-OAHLLOKOSA-N 1 0 358.854 3.687 3 0 FHAFRO C[N@@H+]1CCCN(c2cc(-c3ccc4ccccc4c3)nc3ccnn32)CC1 ZINC000061907674 221137103 /nfs/dbraw/zinc/13/71/03/221137103.db2.gz LHYCGZWDKSKPQZ-UHFFFAOYSA-N 1 0 357.461 3.691 3 0 FHAFRO O=C1NCCC12CC[NH+](C(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000064527273 221147670 /nfs/dbraw/zinc/14/76/70/221147670.db2.gz MDGFRVAELSDIOD-UHFFFAOYSA-N 1 0 356.416 3.656 1 0 FHAFRO COc1cc2c(cc1OC)[C@@H](Cc1cc(=O)oc3ccc(C)cc13)[NH2+]CC2 ZINC000064564655 221148996 /nfs/dbraw/zinc/14/89/96/221148996.db2.gz BZHDMFUQKIWBBZ-GOSISDBHSA-N 1 0 365.429 3.548 1 0 FHAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000061897992 221135971 /nfs/dbraw/zinc/13/59/71/221135971.db2.gz BMXZQMONHRITLV-INIZCTEOSA-N 1 0 353.447 3.647 3 0 FHAFRO O=C1Nc2ccccc2[C@@H]1CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000084466495 132198784 /nfs/dbraw/zinc/19/87/84/132198784.db2.gz YNDUSHJSFHOHRB-FQEVSTJZSA-N 1 0 367.468 3.854 1 0 FHAFRO COc1ccccc1[C@H]1CC[C@H]([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000100086264 132232198 /nfs/dbraw/zinc/23/21/98/132232198.db2.gz FCPLDXWPGMEXLL-KDURUIRLSA-N 1 0 351.494 3.939 1 0 FHAFRO Cc1nn(-c2ccccc2)c2c1c(N1CC[NH+](C)CC1)nc1ccccc21 ZINC000026744948 136153183 /nfs/dbraw/zinc/15/31/83/136153183.db2.gz BSOCUADEIPWJSU-UHFFFAOYSA-N 1 0 357.461 3.634 1 0 FHAFRO COc1ccc(-c2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)cc1 ZINC000096939897 222144611 /nfs/dbraw/zinc/14/46/11/222144611.db2.gz CYIFXBMRTIRZOA-UHFFFAOYSA-N 1 0 374.440 3.673 1 0 FHAFRO CC(C)C[NH+]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000103231665 222327004 /nfs/dbraw/zinc/32/70/04/222327004.db2.gz ATLIUJIEFAFYBZ-FQEVSTJZSA-N 1 0 371.912 3.667 1 0 FHAFRO C[NH+](C)CCCN1c2cc(Cl)ccc2O[C@H](Cc2ccccc2)C1=O ZINC000169324435 535833080 /nfs/dbraw/zinc/83/30/80/535833080.db2.gz CWKGXIZIUUXGHH-LJQANCHMSA-N 1 0 358.869 3.628 1 0 FHAFRO