smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1ccc(O)cc1)c1cnc(Cl)c(Br)c1 ZINC000006919717 695560967 /nfs/dbraw/zinc/56/09/67/695560967.db2.gz BRNPVZXTHZDFGV-UHFFFAOYSA-N 0 1 363.620 3.004 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCC(C)C ZINC000076118530 700224736 /nfs/dbraw/zinc/22/47/36/700224736.db2.gz QGWDSDUGQUCVKS-GFCCVEGCSA-N 0 1 357.292 3.137 20 10 FGCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092455324 700435851 /nfs/dbraw/zinc/43/58/51/700435851.db2.gz PXJCNXBDULDZEF-LBPRGKRZSA-N 0 1 371.821 3.053 20 10 FGCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092455324 700435853 /nfs/dbraw/zinc/43/58/53/700435853.db2.gz PXJCNXBDULDZEF-LBPRGKRZSA-N 0 1 371.821 3.053 20 10 FGCDMN C[C@@H](N1CCN(Cc2cccc(Br)c2O)CC1)C(F)(F)F ZINC000093883225 700455509 /nfs/dbraw/zinc/45/55/09/700455509.db2.gz MYGCKLSHXVLCLD-SNVBAGLBSA-N 0 1 367.209 3.223 20 10 FGCDMN CCN1CCN(c2ccc(CNC(=O)CSC(C)(C)C)cc2F)CC1 ZINC000106702535 700509747 /nfs/dbraw/zinc/50/97/47/700509747.db2.gz MRFNLCRTGVSVGI-UHFFFAOYSA-N 0 1 367.534 3.116 20 10 FGCDMN CC(C)([NH2+]Cc1cc(Br)ccc1[O-])C(=O)NCC1CCCC1 ZINC000136032225 704856833 /nfs/dbraw/zinc/85/68/33/704856833.db2.gz OLKXKKMQQRCFHB-UHFFFAOYSA-N 0 1 369.303 3.329 20 10 FGCDMN COc1cc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c(O)cc1C ZINC000159911811 705237514 /nfs/dbraw/zinc/23/75/14/705237514.db2.gz NGNVOBMGCJWHPP-UHFFFAOYSA-N 0 1 350.459 3.152 20 10 FGCDMN COc1ncccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804905350 724562765 /nfs/dbraw/zinc/56/27/65/724562765.db2.gz QKNBECBMSNDCAV-UHFFFAOYSA-N 0 1 356.209 3.102 20 10 FGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)OCC(F)(F)F ZINC000732233086 722482903 /nfs/dbraw/zinc/48/29/03/722482903.db2.gz NYCXALGVWQVSAN-GFCCVEGCSA-N 0 1 366.767 3.299 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000734846574 722510524 /nfs/dbraw/zinc/51/05/24/722510524.db2.gz YFRHRCNCCQAQAS-FQEVSTJZSA-N 0 1 360.885 3.162 20 10 FGCDMN Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C)c1 ZINC000743049968 722563552 /nfs/dbraw/zinc/56/35/52/722563552.db2.gz LNYSIVIOXZNWJG-UHFFFAOYSA-N 0 1 362.480 3.270 20 10 FGCDMN C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000756553316 722966700 /nfs/dbraw/zinc/96/67/00/722966700.db2.gz GEDDBFXUUJCDTL-LBPRGKRZSA-N 0 1 369.870 3.179 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Br)ccc1[O-] ZINC000756788552 722970140 /nfs/dbraw/zinc/97/01/40/722970140.db2.gz WGLCVBARYANDRF-AAEUAGOBSA-N 0 1 356.260 3.491 20 10 FGCDMN COCCC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000759959629 723031201 /nfs/dbraw/zinc/03/12/01/723031201.db2.gz WYMNTNMSUIEXKJ-MRXNPFEDSA-N 0 1 368.905 3.189 20 10 FGCDMN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccsc3Cl)cc2)C1 ZINC000790954782 723198639 /nfs/dbraw/zinc/19/86/39/723198639.db2.gz YFIMPRJLTUFXEB-OAHLLOKOSA-N 0 1 363.914 3.393 20 10 FGCDMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(F)cc1C ZINC000795339624 723583350 /nfs/dbraw/zinc/58/33/50/723583350.db2.gz LHOAHWSVIVCLOB-UHFFFAOYSA-N 0 1 367.398 3.126 20 10 FGCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c([O-])ccc(Cl)c3F)C[C@@H]2C1 ZINC000796030093 723618104 /nfs/dbraw/zinc/61/81/04/723618104.db2.gz XCLVDLOTVIFIBT-TXEJJXNPSA-N 0 1 370.852 3.483 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767713838 723630724 /nfs/dbraw/zinc/63/07/24/723630724.db2.gz ZUHWTFPCMIVFEQ-LLVKDONJSA-N 0 1 359.775 3.404 20 10 FGCDMN C[C@@](CO)(NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000796470972 723639162 /nfs/dbraw/zinc/63/91/62/723639162.db2.gz OSMFSFKYWYYHER-SFHVURJKSA-N 0 1 362.267 3.381 20 10 FGCDMN COC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000768783470 723667141 /nfs/dbraw/zinc/66/71/41/723667141.db2.gz VHFKVKHNGDTHAN-UHFFFAOYSA-N 0 1 364.785 3.372 20 10 FGCDMN Cc1cnc(N2CCN(Cc3cccc(Br)c3O)CC2)s1 ZINC000769456546 723686014 /nfs/dbraw/zinc/68/60/14/723686014.db2.gz LAGKUVBJYJSQNG-UHFFFAOYSA-N 0 1 368.300 3.242 20 10 FGCDMN CCN1CCN(c2ccc(CNCc3ncc(Cl)s3)cc2F)CC1 ZINC000769911688 723700267 /nfs/dbraw/zinc/70/02/67/723700267.db2.gz MZUASXNRWBXQBT-UHFFFAOYSA-N 0 1 368.909 3.367 20 10 FGCDMN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)CCCO2 ZINC000771597588 723738634 /nfs/dbraw/zinc/73/86/34/723738634.db2.gz YORZTSHURDVELM-UHFFFAOYSA-N 0 1 373.459 3.331 20 10 FGCDMN C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773068507 723776001 /nfs/dbraw/zinc/77/60/01/723776001.db2.gz OKBVWTLZEIZJGD-CQSZACIVSA-N 0 1 350.459 3.016 20 10 FGCDMN COc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cnc1Cl ZINC000775291214 723976934 /nfs/dbraw/zinc/97/69/34/723976934.db2.gz GDPMRNRDOQPHLY-UHFFFAOYSA-N 0 1 356.831 3.175 20 10 FGCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000799122634 723989283 /nfs/dbraw/zinc/98/92/83/723989283.db2.gz CSTRSUXZPZSFRP-UHFFFAOYSA-N 0 1 360.204 3.403 20 10 FGCDMN COc1ccc(C[N@@H+](CCO)Cc2cc(Cl)cc(F)c2[O-])c(OC)c1 ZINC000775695077 724026546 /nfs/dbraw/zinc/02/65/46/724026546.db2.gz GBWJGRLINIFYLU-UHFFFAOYSA-N 0 1 369.820 3.196 20 10 FGCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000775745272 724037348 /nfs/dbraw/zinc/03/73/48/724037348.db2.gz STYJISQOZZSWQA-GOEBONIOSA-N 0 1 353.825 3.006 20 10 FGCDMN COc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c1 ZINC000776692816 724170920 /nfs/dbraw/zinc/17/09/20/724170920.db2.gz DNOZLUYXADNLIW-UONOGXRCSA-N 0 1 350.459 3.231 20 10 FGCDMN CO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(F)(F)F ZINC000777011275 724205958 /nfs/dbraw/zinc/20/59/58/724205958.db2.gz MQQXUUCCGPUFAB-NHYWBVRUSA-N 0 1 366.811 3.405 20 10 FGCDMN CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805183582 725055173 /nfs/dbraw/zinc/05/51/73/725055173.db2.gz DKTFBSABUKOCET-LLVKDONJSA-N 0 1 360.285 3.229 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000805204408 725056325 /nfs/dbraw/zinc/05/63/25/725056325.db2.gz SSHSPUOHVMBJML-MRVWCRGKSA-N 0 1 359.253 3.456 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1Cc2cccc(O)c2C1 ZINC000807179608 725155666 /nfs/dbraw/zinc/15/56/66/725155666.db2.gz WXHLORFNGQBIOW-LBPRGKRZSA-N 0 1 367.232 3.371 20 10 FGCDMN CC(C)C(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807837600 725171766 /nfs/dbraw/zinc/17/17/66/725171766.db2.gz XGHVGCWVUMIXJB-UHFFFAOYSA-N 0 1 373.280 3.210 20 10 FGCDMN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840185 725172344 /nfs/dbraw/zinc/17/23/44/725172344.db2.gz SUFOZJUANYKMKI-ZDUSSCGKSA-N 0 1 373.280 3.352 20 10 FGCDMN Cc1cc(C(=O)N(C)Cc2n[nH]c(=O)o2)c(C)n1-c1cccc(Cl)c1 ZINC000808099181 725183583 /nfs/dbraw/zinc/18/35/83/725183583.db2.gz FLCHSLUWXHVQJY-UHFFFAOYSA-N 0 1 360.801 3.108 20 10 FGCDMN O=S(=O)(Nc1ccc(O)cc1F)c1c(F)cccc1OC(F)(F)F ZINC000808106177 725183843 /nfs/dbraw/zinc/18/38/43/725183843.db2.gz ZRUPPDVHZUSMKP-UHFFFAOYSA-N 0 1 369.267 3.370 20 10 FGCDMN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808113745 725184513 /nfs/dbraw/zinc/18/45/13/725184513.db2.gz IJAQFSIGCGTPPZ-UHFFFAOYSA-N 0 1 373.789 3.162 20 10 FGCDMN COc1cc(O)c(C[NH2+]Cc2cc(Br)ccc2[O-])cc1OC ZINC000809713665 725261576 /nfs/dbraw/zinc/26/15/76/725261576.db2.gz WYCBWQSBBYPDOH-UHFFFAOYSA-N 0 1 368.227 3.167 20 10 FGCDMN CCN(C)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000809712920 725261668 /nfs/dbraw/zinc/26/16/68/725261668.db2.gz GNHUOBGWFHULFZ-UHFFFAOYSA-N 0 1 350.260 3.296 20 10 FGCDMN COc1ccc(C[C@@](C)(O)C[NH2+]Cc2c([O-])cccc2Cl)cc1OC ZINC000810174025 725294672 /nfs/dbraw/zinc/29/46/72/725294672.db2.gz NWLRLMLAHUQEFQ-LJQANCHMSA-N 0 1 365.857 3.146 20 10 FGCDMN CC(C)OCc1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1O ZINC000811703931 725377181 /nfs/dbraw/zinc/37/71/81/725377181.db2.gz LWDXZBPKYMMBOW-UHFFFAOYSA-N 0 1 357.378 3.396 20 10 FGCDMN O=C(NCc1ccco1)[C@H]1CCCN1Cc1cc(Cl)c(F)cc1O ZINC000816484454 727166885 /nfs/dbraw/zinc/16/68/85/727166885.db2.gz CQFPDCFGJOKNLR-OAHLLOKOSA-N 0 1 352.793 3.059 20 10 FGCDMN O=C(c1ccsc1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816493559 727167493 /nfs/dbraw/zinc/16/74/93/727167493.db2.gz GGTWSPDYXHFMNS-UHFFFAOYSA-N 0 1 354.834 3.204 20 10 FGCDMN CN(Cc1cccs1)c1ccc(CN2CCO[C@@]3(CCOC3)C2)cc1 ZINC000824181591 729322939 /nfs/dbraw/zinc/32/29/39/729322939.db2.gz TZDQMTOCCWXGOM-FQEVSTJZSA-N 0 1 358.507 3.376 20 10 FGCDMN CCN(CC)C(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824632426 729351813 /nfs/dbraw/zinc/35/18/13/729351813.db2.gz JIKUGHOKVKVYMD-UHFFFAOYSA-N 0 1 369.303 3.235 20 10 FGCDMN COc1cc(Br)cc(CN2CCSC[C@H]2C2CC2)c1O ZINC000824914326 729364979 /nfs/dbraw/zinc/36/49/79/729364979.db2.gz PIJWFEPXZXGYMT-ZDUSSCGKSA-N 0 1 358.301 3.491 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000825138705 729372564 /nfs/dbraw/zinc/37/25/64/729372564.db2.gz UFELXNIVMNGQRX-AWEZNQCLSA-N 0 1 350.256 3.096 20 10 FGCDMN CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825326437 729378939 /nfs/dbraw/zinc/37/89/39/729378939.db2.gz PXSQIZUFUPUAGO-YRVVQQKDSA-N 0 1 360.317 3.324 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000825412405 729382339 /nfs/dbraw/zinc/38/23/39/729382339.db2.gz JLAGEYBLDDRNNQ-KRWDZBQOSA-N 0 1 366.230 3.387 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000825412405 729382341 /nfs/dbraw/zinc/38/23/41/729382341.db2.gz JLAGEYBLDDRNNQ-KRWDZBQOSA-N 0 1 366.230 3.387 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000825955367 729400899 /nfs/dbraw/zinc/40/08/99/729400899.db2.gz LGDQMQZNNBZXAN-GOSISDBHSA-N 0 1 362.267 3.291 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000825955367 729400900 /nfs/dbraw/zinc/40/09/00/729400900.db2.gz LGDQMQZNNBZXAN-GOSISDBHSA-N 0 1 362.267 3.291 20 10 FGCDMN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000826122961 729405639 /nfs/dbraw/zinc/40/56/39/729405639.db2.gz AITYAPPMWHNHBW-HNNXBMFYSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000826122961 729405640 /nfs/dbraw/zinc/40/56/40/729405640.db2.gz AITYAPPMWHNHBW-HNNXBMFYSA-N 0 1 367.287 3.132 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000834828213 729837460 /nfs/dbraw/zinc/83/74/60/729837460.db2.gz QPLMBLNEQMTVLY-NEPJUHHUSA-N 0 1 351.855 3.267 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000834828215 729837628 /nfs/dbraw/zinc/83/76/28/729837628.db2.gz QPLMBLNEQMTVLY-NWDGAFQWSA-N 0 1 351.855 3.267 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(Br)ccc1[O-] ZINC000834849639 729838965 /nfs/dbraw/zinc/83/89/65/729838965.db2.gz DMEXVTKSLZQGCM-HOCLYGCPSA-N 0 1 371.319 3.042 20 10 FGCDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000834871345 729840135 /nfs/dbraw/zinc/84/01/35/729840135.db2.gz NNQAHHMYFFGALH-GFCCVEGCSA-N 0 1 361.877 3.023 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c(Cl)c1 ZINC000840892327 730188915 /nfs/dbraw/zinc/18/89/15/730188915.db2.gz QYPIZFNCFFKJBR-LLVKDONJSA-N 0 1 357.784 3.162 20 10 FGCDMN Cc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1C ZINC000840906972 730189717 /nfs/dbraw/zinc/18/97/17/730189717.db2.gz YQMSYMKLBUEUEX-CQSZACIVSA-N 0 1 350.413 3.089 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1[O-] ZINC000841751947 730270782 /nfs/dbraw/zinc/27/07/82/730270782.db2.gz OZNWIBCINUYIPR-JOYOIKCWSA-N 0 1 350.768 3.250 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)ccc1[O-] ZINC000841761363 730271589 /nfs/dbraw/zinc/27/15/89/730271589.db2.gz JJIYDDPOVUYUFC-GFCCVEGCSA-N 0 1 372.303 3.373 20 10 FGCDMN C[N@H+]1CCn2nc(NCc3cc(Cl)cc(Br)c3[O-])cc2C1 ZINC000883199679 737534704 /nfs/dbraw/zinc/53/47/04/737534704.db2.gz MOUFVFUNNOYFQB-UHFFFAOYSA-N 0 1 371.666 3.062 20 10 FGCDMN CCOCc1cc(C[NH2+][C@@H](C)c2nc(C(=O)[O-])cs2)ccc1OC ZINC000846781869 730979870 /nfs/dbraw/zinc/97/98/70/730979870.db2.gz XXFUQTGXTKBLJD-NSHDSACASA-N 0 1 350.440 3.237 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000848568934 731183169 /nfs/dbraw/zinc/18/31/69/731183169.db2.gz AWEAPWQCLDRKNC-JSGCOSHPSA-N 0 1 369.259 3.179 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000854475706 731832293 /nfs/dbraw/zinc/83/22/93/731832293.db2.gz WIMYFOXGWNBRNA-SGMGOOAPSA-N 0 1 371.264 3.010 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000858088019 732178752 /nfs/dbraw/zinc/17/87/52/732178752.db2.gz XXMCWWKALBVDOF-UHFFFAOYSA-N 0 1 364.239 3.258 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645100 736698576 /nfs/dbraw/zinc/69/85/76/736698576.db2.gz AMVPIBUIHIFLFY-MRXNPFEDSA-N 0 1 363.255 3.341 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645100 736698582 /nfs/dbraw/zinc/69/85/82/736698582.db2.gz AMVPIBUIHIFLFY-MRXNPFEDSA-N 0 1 363.255 3.341 20 10 FGCDMN Oc1cc(Br)ccc1CN1CC[C@@H](OCc2ccccn2)C1 ZINC000877645100 736698588 /nfs/dbraw/zinc/69/85/88/736698588.db2.gz AMVPIBUIHIFLFY-MRXNPFEDSA-N 0 1 363.255 3.341 20 10 FGCDMN CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cccc(Br)c1O ZINC000877856346 736735814 /nfs/dbraw/zinc/73/58/14/736735814.db2.gz BJDUUODRMYUYLR-ZDUSSCGKSA-N 0 1 355.276 3.410 20 10 FGCDMN CCN(C)c1ccc(Cn2cc([C@H](N)c3ccc(Cl)cc3)nn2)cc1 ZINC000881313282 737323658 /nfs/dbraw/zinc/32/36/58/737323658.db2.gz GYDHKMHRIVNDHN-LJQANCHMSA-N 0 1 355.873 3.484 20 10 FGCDMN CC[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000886670583 739281090 /nfs/dbraw/zinc/28/10/90/739281090.db2.gz ROSQHKHCXQUTCE-YDHLFZDLSA-N 0 1 358.276 3.125 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCC2(COC2)CC1 ZINC000890209337 739764713 /nfs/dbraw/zinc/76/47/13/739764713.db2.gz DJAHMJRKPNRSPH-UHFFFAOYSA-N 0 1 359.253 3.457 20 10 FGCDMN C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1cccs1 ZINC000891509654 739909222 /nfs/dbraw/zinc/90/92/22/739909222.db2.gz SVZNGQFZMDNBCZ-ZDUSSCGKSA-N 0 1 353.875 3.209 20 10 FGCDMN COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000896968611 742624182 /nfs/dbraw/zinc/62/41/82/742624182.db2.gz 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CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000764898765 723457521 /nfs/dbraw/zinc/45/75/21/723457521.db2.gz PBQTWGVEHIYLCY-UHFFFAOYSA-N 0 1 354.376 3.465 20 10 FGCDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NC(C)(C)C ZINC000765422634 723512109 /nfs/dbraw/zinc/51/21/09/723512109.db2.gz BCZYQHZJUBALCI-ZIAGYGMSSA-N 0 1 367.921 3.130 20 10 FGCDMN Cc1ccc(CN(Cc2n[nH]c(C)n2)c2ccc3c(c2)OCCO3)s1 ZINC000794415582 723519625 /nfs/dbraw/zinc/51/96/25/723519625.db2.gz VSBDZZDNTWAHBK-UHFFFAOYSA-N 0 1 356.451 3.461 20 10 FGCDMN C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000773160848 723777971 /nfs/dbraw/zinc/77/79/71/723777971.db2.gz DFXCEFPDTAQWRH-KSSFIOAISA-N 0 1 360.527 3.477 20 10 FGCDMN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000773406405 723784213 /nfs/dbraw/zinc/78/42/13/723784213.db2.gz CQAZDJAGJKWBQU-IKGGRYGDSA-N 0 1 350.890 3.418 20 10 FGCDMN Cc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc(Cl)n1 ZINC000797596833 723840030 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C[C@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(N(C)C)cc1 ZINC000775836951 724069343 /nfs/dbraw/zinc/06/93/43/724069343.db2.gz POLNVQWQVWTEJH-LBPRGKRZSA-N 0 1 361.515 3.191 20 10 FGCDMN CS[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1[NH+]1CCCC1 ZINC000776487195 724150667 /nfs/dbraw/zinc/15/06/67/724150667.db2.gz WETPATWCDKRTEC-IRXDYDNUSA-N 0 1 368.930 3.260 20 10 FGCDMN Cc1cc(=O)n(C)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806334876 725124870 /nfs/dbraw/zinc/12/48/70/725124870.db2.gz WWQBCVPPRXSGPN-UHFFFAOYSA-N 0 1 356.209 3.028 20 10 FGCDMN Cn1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1-n1cccc1 ZINC000807839371 725172016 /nfs/dbraw/zinc/17/20/16/725172016.db2.gz MHKJZMVPUVBYOI-UHFFFAOYSA-N 0 1 365.220 3.153 20 10 FGCDMN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc(Cl)cc(Cl)c1O ZINC000807839643 725172044 /nfs/dbraw/zinc/17/20/44/725172044.db2.gz QVLCCOHQSNGADT-UHFFFAOYSA-N 0 1 355.177 3.466 20 10 FGCDMN CCNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC000809691941 725259328 /nfs/dbraw/zinc/25/93/28/725259328.db2.gz UEJAYSINANFMHL-CQSZACIVSA-N 0 1 356.850 3.155 20 10 FGCDMN CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228977 725298526 /nfs/dbraw/zinc/29/85/26/725298526.db2.gz PCXLLNVSYPICSG-AWEZNQCLSA-N 0 1 365.417 3.277 20 10 FGCDMN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ncc(Br)cn1 ZINC000815634136 727087960 /nfs/dbraw/zinc/08/79/60/727087960.db2.gz FAQBYJIMVCERBU-IUCAKERBSA-N 0 1 367.203 3.265 20 10 FGCDMN CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816562341 727176091 /nfs/dbraw/zinc/17/60/91/727176091.db2.gz IBFDYLLVOLDDBC-UHFFFAOYSA-N 0 1 355.459 3.380 20 10 FGCDMN CO[C@H](CC(C)C)CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000817142651 727224433 /nfs/dbraw/zinc/22/44/33/727224433.db2.gz TWNSKUIMUMSANQ-GFCCVEGCSA-N 0 1 370.298 3.180 20 10 FGCDMN COC1([C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])CCOCC1 ZINC000817588143 727268534 /nfs/dbraw/zinc/26/85/34/727268534.db2.gz MBUHPJRULJYXFR-NEPJUHHUSA-N 0 1 358.276 3.389 20 10 FGCDMN CCCN1C[C@H](C[NH2+][C@@H](CC)c2cc(Br)ccc2[O-])CC1=O ZINC000817590205 727268951 /nfs/dbraw/zinc/26/89/51/727268951.db2.gz WHMBSHCTNJGXGY-WFASDCNBSA-N 0 1 369.303 3.454 20 10 FGCDMN C[C@@H](CNCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)S(C)(=O)=O ZINC000819291440 727365037 /nfs/dbraw/zinc/36/50/37/727365037.db2.gz VDPZSYPTPUCTGY-KGLIPLIRSA-N 0 1 358.935 3.099 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)cc1Cl ZINC000825246561 729375813 /nfs/dbraw/zinc/37/58/13/729375813.db2.gz DGRIBPVNSXIHMI-GFCCVEGCSA-N 0 1 357.784 3.162 20 10 FGCDMN Oc1cc(Br)ccc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825710455 729392464 /nfs/dbraw/zinc/39/24/64/729392464.db2.gz QCSXPVNOCATTBB-MFKMUULPSA-N 0 1 368.193 3.290 20 10 FGCDMN Oc1ccc2c(c1)CN(Cc1cccc(Br)c1O)CCO2 ZINC000827657808 729433001 /nfs/dbraw/zinc/43/30/01/729433001.db2.gz QXGKWTNPHGXUMH-UHFFFAOYSA-N 0 1 350.212 3.255 20 10 FGCDMN C[C@@]1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483480 730034352 /nfs/dbraw/zinc/03/43/52/730034352.db2.gz AVYSHEAFOKBLRD-LPHOPBHVSA-N 0 1 366.889 3.085 20 10 FGCDMN Cc1ncc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000840760036 730170419 /nfs/dbraw/zinc/17/04/19/730170419.db2.gz QNUMYPTYPUHOQV-NSHDSACASA-N 0 1 353.438 3.417 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000840963150 730198308 /nfs/dbraw/zinc/19/83/08/730198308.db2.gz LMFFRHBTODWMFL-ZDUSSCGKSA-N 0 1 354.219 3.160 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1[O-] ZINC000841745046 730269907 /nfs/dbraw/zinc/26/99/07/730269907.db2.gz MXQNDCXINGIDAZ-GFCCVEGCSA-N 0 1 368.886 3.147 20 10 FGCDMN C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)cc1[O-] ZINC000841745536 730270167 /nfs/dbraw/zinc/27/01/67/730270167.db2.gz PSVGGKGDAQVJDK-KBXCAEBGSA-N 0 1 360.885 3.115 20 10 FGCDMN C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841753358 730270672 /nfs/dbraw/zinc/27/06/72/730270672.db2.gz SIAZWQBDXPFPFO-GFCCVEGCSA-N 0 1 365.836 3.267 20 10 FGCDMN C[C@@H]1CCn2ncc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2C1 ZINC000843889298 730663416 /nfs/dbraw/zinc/66/34/16/730663416.db2.gz NWDKVFJVOYORIV-SECBINFHSA-N 0 1 354.237 3.408 20 10 FGCDMN CN(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000844900970 730787022 /nfs/dbraw/zinc/78/70/22/730787022.db2.gz CIYMYGIXJANZTK-INIZCTEOSA-N 0 1 365.836 3.287 20 10 FGCDMN CCn1ccc(CN[C@H](C)c2cc(Br)cc(OC)c2O)n1 ZINC000848553868 731180960 /nfs/dbraw/zinc/18/09/60/731180960.db2.gz ZFJFDRYEBBRIPX-SNVBAGLBSA-N 0 1 354.248 3.231 20 10 FGCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848558061 731181513 /nfs/dbraw/zinc/18/15/13/731181513.db2.gz MVVVZIKEANPUPE-MQYQWHSLSA-N 0 1 371.319 3.303 20 10 FGCDMN CCS(=O)(=O)C1(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000850555113 731372302 /nfs/dbraw/zinc/37/23/02/731372302.db2.gz FYDXZEHETNBHFZ-HNNXBMFYSA-N 0 1 368.518 3.434 20 10 FGCDMN COc1cc(Br)cc([C@H](C)N[C@H](C)c2nccn2C)c1O ZINC000850572318 731374688 /nfs/dbraw/zinc/37/46/88/731374688.db2.gz JYQMFUBFRAQNHV-VHSXEESVSA-N 0 1 354.248 3.309 20 10 FGCDMN COc1cc(CCC[NH2+]Cc2c([O-])cccc2Cl)cc(OC)c1O ZINC000856812771 732064121 /nfs/dbraw/zinc/06/41/21/732064121.db2.gz XDTISZZOZXQKEZ-UHFFFAOYSA-N 0 1 351.830 3.491 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000858156544 732187034 /nfs/dbraw/zinc/18/70/34/732187034.db2.gz YBJMDECMYJKSSE-GFCCVEGCSA-N 0 1 356.260 3.320 20 10 FGCDMN C[C@@H]1C[C@@H](NCc2c(Br)cnn2C)c2c1c(F)ccc2O ZINC000866431574 733348691 /nfs/dbraw/zinc/34/86/91/733348691.db2.gz XBKFCVCJOLHQQH-LDYMZIIASA-N 0 1 354.223 3.365 20 10 FGCDMN O=c1[nH]nc(Cl)cc1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000872448372 735632424 /nfs/dbraw/zinc/63/24/24/735632424.db2.gz DCWWUHPTODNYFK-GFCCVEGCSA-N 0 1 369.252 3.271 20 10 FGCDMN O=c1[nH]nc(Cl)cc1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000872448372 735632427 /nfs/dbraw/zinc/63/24/27/735632427.db2.gz DCWWUHPTODNYFK-GFCCVEGCSA-N 0 1 369.252 3.271 20 10 FGCDMN C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(Br)c(F)cc1O ZINC000886801111 739302918 /nfs/dbraw/zinc/30/29/18/739302918.db2.gz ICESWBMQCUGBCQ-KBUNVGBDSA-N 0 1 360.145 3.258 20 10 FGCDMN C[C@@]1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1(F)F ZINC000882198222 737432141 /nfs/dbraw/zinc/43/21/41/737432141.db2.gz QUHQKKBNEBGQOI-NSHDSACASA-N 0 1 360.209 3.164 20 10 FGCDMN C[C@@H](Nc1nc(Cl)nc2[nH]cnc21)c1ccc(N2CCOCC2)cc1 ZINC000892025999 739959338 /nfs/dbraw/zinc/95/93/38/739959338.db2.gz WOQFVQBBFJOBNV-LLVKDONJSA-N 0 1 358.833 3.016 20 10 FGCDMN C[C@H]1CN(Cc2cc(Br)cc(F)c2O)CC2(CCOCC2)O1 ZINC000894598095 742303006 /nfs/dbraw/zinc/30/30/06/742303006.db2.gz UIYARYOWOIDHRC-NSHDSACASA-N 0 1 374.250 3.064 20 10 FGCDMN Cc1nc([C@@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)no1 ZINC000896238106 742519759 /nfs/dbraw/zinc/51/97/59/742519759.db2.gz ROWYQHOAHZAZOV-LLVKDONJSA-N 0 1 352.232 3.144 20 10 FGCDMN Cc1nc([C@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)no1 ZINC000896238108 742519856 /nfs/dbraw/zinc/51/98/56/742519856.db2.gz ROWYQHOAHZAZOV-NSHDSACASA-N 0 1 352.232 3.144 20 10 FGCDMN Cc1noc(C[C@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000897579607 742692129 /nfs/dbraw/zinc/69/21/29/742692129.db2.gz YDLFYNPPQLYJKN-GFCCVEGCSA-N 0 1 366.259 3.301 20 10 FGCDMN Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000897579607 742692131 /nfs/dbraw/zinc/69/21/31/742692131.db2.gz YDLFYNPPQLYJKN-GFCCVEGCSA-N 0 1 366.259 3.301 20 10 FGCDMN CCOCc1nnc(NCc2cc(Cl)cc(Br)c2O)o1 ZINC000905411000 744020253 /nfs/dbraw/zinc/02/02/53/744020253.db2.gz BDJOPBXCMBWTNN-UHFFFAOYSA-N 0 1 362.611 3.340 20 10 FGCDMN CCc1onc(C)c1CNCc1cc(Br)cc(OC)c1O ZINC000922987173 759045198 /nfs/dbraw/zinc/04/51/98/759045198.db2.gz BAYOYMZHTRTYBE-UHFFFAOYSA-N 0 1 355.232 3.312 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1cc(Br)ccc1[O-] ZINC000927155229 759909345 /nfs/dbraw/zinc/90/93/45/759909345.db2.gz JBINHEVEMCZUOI-IMJJTQAJSA-N 0 1 370.287 3.125 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Br)ccc1[O-] ZINC000156735302 496322827 /nfs/dbraw/zinc/32/28/27/496322827.db2.gz SXHQJOSSYKMBTQ-OCCSQVGLSA-N 0 1 350.260 3.476 20 10 FGCDMN COc1cc(Cl)cc(CN2CCCN(c3nccs3)CC2)c1O ZINC000184683710 496491116 /nfs/dbraw/zinc/49/11/16/496491116.db2.gz JXPMINAGCDWVFM-UHFFFAOYSA-N 0 1 353.875 3.223 20 10 FGCDMN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273431152 496804103 /nfs/dbraw/zinc/80/41/03/496804103.db2.gz VSKWJLIPKYHAKY-ZDUSSCGKSA-N 0 1 362.857 3.411 20 10 FGCDMN COC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000273445959 496808296 /nfs/dbraw/zinc/80/82/96/496808296.db2.gz ZTLPNERATQTQKW-SNVBAGLBSA-N 0 1 357.248 3.036 20 10 FGCDMN CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nc(C)cs1 ZINC000278472376 497126124 /nfs/dbraw/zinc/12/61/24/497126124.db2.gz HLRAZNQNBDUFQS-INIZCTEOSA-N 0 1 351.428 3.489 20 10 FGCDMN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192822866 497222991 /nfs/dbraw/zinc/22/29/91/497222991.db2.gz XGBUOLQLIKOISF-QWHCGFSZSA-N 0 1 360.329 3.233 20 10 FGCDMN Cc1cc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)ccc1N(C)C ZINC000271571246 497386208 /nfs/dbraw/zinc/38/62/08/497386208.db2.gz ZDDOGCSDGZKLGE-AWEZNQCLSA-N 0 1 364.486 3.454 20 10 FGCDMN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC000364449873 497963850 /nfs/dbraw/zinc/96/38/50/497963850.db2.gz SUPADRJPMWEBIM-GOSISDBHSA-N 0 1 373.250 3.251 20 10 FGCDMN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc(Br)ccc1[O-])C2 ZINC000364449873 497963857 /nfs/dbraw/zinc/96/38/57/497963857.db2.gz SUPADRJPMWEBIM-GOSISDBHSA-N 0 1 373.250 3.251 20 10 FGCDMN CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1O ZINC000286230303 498331783 /nfs/dbraw/zinc/33/17/83/498331783.db2.gz STXSGDXCRZXKIR-AZUAARDMSA-N 0 1 358.457 3.339 20 10 FGCDMN COc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1O ZINC000290000835 498388971 /nfs/dbraw/zinc/38/89/71/498388971.db2.gz YXOFSYOGKKUACB-CQSZACIVSA-N 0 1 374.456 3.352 20 10 FGCDMN Cc1nc([C@@H]2CCCN(Cc3cc(Br)ccc3O)C2)no1 ZINC000362385588 498507060 /nfs/dbraw/zinc/50/70/60/498507060.db2.gz CDVQKSKDAHCAJY-LLVKDONJSA-N 0 1 352.232 3.226 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ccncn3)no2)C1 ZINC000572893252 506078116 /nfs/dbraw/zinc/07/81/16/506078116.db2.gz VRAOFITYPNVKJO-UHFFFAOYSA-N 0 1 374.448 3.296 20 10 FGCDMN CC[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)ccc1[O-] ZINC000287563538 498797418 /nfs/dbraw/zinc/79/74/18/498797418.db2.gz QHFKACXNYAXJSP-AWEZNQCLSA-N 0 1 358.276 3.127 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287656127 498827350 /nfs/dbraw/zinc/82/73/50/498827350.db2.gz LMHWKUNMOLFDOI-ROUUACIJSA-N 0 1 353.938 3.358 20 10 FGCDMN CCN(CC)c1ccc(CNCc2cnc(-c3cnn(C)c3)nc2)cc1 ZINC000366336792 498879623 /nfs/dbraw/zinc/87/96/23/498879623.db2.gz JKTREUPTMQETGK-UHFFFAOYSA-N 0 1 350.470 3.013 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000367862837 499239601 /nfs/dbraw/zinc/23/96/01/499239601.db2.gz LGJMOFIJRXNUMT-GXTWGEPZSA-N 0 1 359.253 3.456 20 10 FGCDMN COc1ccc(N2CCC(N(C)Cc3c(C)nn(C)c3Cl)CC2)cc1 ZINC000370864604 499263872 /nfs/dbraw/zinc/26/38/72/499263872.db2.gz DVYZTMJJLZRZSG-UHFFFAOYSA-N 0 1 362.905 3.491 20 10 FGCDMN Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C2 ZINC000368314606 499284616 /nfs/dbraw/zinc/28/46/16/499284616.db2.gz FEPCLGYGOMNXST-WCQYABFASA-N 0 1 350.260 3.325 20 10 FGCDMN CC[C@@H]1COCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435863175 501038637 /nfs/dbraw/zinc/03/86/37/501038637.db2.gz UPJPMVNTTGFYGB-QGZVFWFLSA-N 0 1 369.509 3.045 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCOCC2)C1 ZINC000436028048 501059240 /nfs/dbraw/zinc/05/92/40/501059240.db2.gz TUUAVAHQBZTCFG-KRWDZBQOSA-N 0 1 369.509 3.093 20 10 FGCDMN Cc1cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000530109217 503839835 /nfs/dbraw/zinc/83/98/35/503839835.db2.gz YDFZHEURWVQYPY-CVEARBPZSA-N 0 1 351.512 3.150 20 10 FGCDMN COc1ccc(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000527988924 504028690 /nfs/dbraw/zinc/02/86/90/504028690.db2.gz WDEFFNVIVMVZFD-LLVKDONJSA-N 0 1 351.244 3.452 20 10 FGCDMN Cc1n[nH]c(C)c1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000520494839 504512260 /nfs/dbraw/zinc/51/22/60/504512260.db2.gz ZYEZLMOJHVRHEB-UHFFFAOYSA-N 0 1 365.481 3.386 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000529636878 504749756 /nfs/dbraw/zinc/74/97/56/504749756.db2.gz KNJAYWITAPJKEV-LBPRGKRZSA-N 0 1 364.165 3.244 20 10 FGCDMN CCN1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@@H](C)C1 ZINC000553315680 504880737 /nfs/dbraw/zinc/88/07/37/504880737.db2.gz SPQPYJCPGHMSAG-HNNXBMFYSA-N 0 1 357.498 3.071 20 10 FGCDMN NC1(c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)CCCCC1 ZINC000565651976 504949401 /nfs/dbraw/zinc/94/94/01/504949401.db2.gz XXXIZAQQOOOEGL-UHFFFAOYSA-N 0 1 368.462 3.071 20 10 FGCDMN O=C([O-])c1ccc(NC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000739273329 600148130 /nfs/dbraw/zinc/14/81/30/600148130.db2.gz IJWLAIWCNZWWRK-UHFFFAOYSA-N 0 1 368.433 3.474 20 10 FGCDMN 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/nfs/dbraw/zinc/45/55/57/700455557.db2.gz JJKLZABXEDJOSX-CQSZACIVSA-N 0 1 350.260 3.398 20 10 FGCDMN CCCN(CC(=O)Nc1ccsc1C(=O)OC)Cc1ccccc1O ZINC000110076913 700538320 /nfs/dbraw/zinc/53/83/20/700538320.db2.gz DOGYEBQAFUNGTE-UHFFFAOYSA-N 0 1 362.451 3.091 20 10 FGCDMN CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000128838318 700780261 /nfs/dbraw/zinc/78/02/61/700780261.db2.gz JRKDBOOLSFPBJD-ZWNOBZJWSA-N 0 1 357.292 3.499 20 10 FGCDMN COc1cc(O)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000158824515 705200621 /nfs/dbraw/zinc/20/06/21/705200621.db2.gz RGUMBGGTFNJMEW-UHFFFAOYSA-N 0 1 362.857 3.385 20 10 FGCDMN CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000228089912 713574270 /nfs/dbraw/zinc/57/42/70/713574270.db2.gz ALSJXAGRDSGZJP-SMDDNHRTSA-N 0 1 355.276 3.206 20 10 FGCDMN CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)ccc1[O-] ZINC000774381283 723887067 /nfs/dbraw/zinc/88/70/67/723887067.db2.gz AXVNSQYYNSNRJG-HNNXBMFYSA-N 0 1 369.303 3.060 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000781913736 724611588 /nfs/dbraw/zinc/61/15/88/724611588.db2.gz SIAXKOYYRHRFGK-CQSZACIVSA-N 0 1 350.260 3.497 20 10 FGCDMN CN(C)c1ccc(CNC(=O)c2cccc(Br)c2O)cc1F ZINC000730106816 722465328 /nfs/dbraw/zinc/46/53/28/722465328.db2.gz SFWFNKLXCOVLON-UHFFFAOYSA-N 0 1 367.218 3.290 20 10 FGCDMN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(Br)c2O)c1 ZINC000730285341 722466818 /nfs/dbraw/zinc/46/68/18/722466818.db2.gz MWCTUHDOBFGMAK-SECBINFHSA-N 0 1 366.211 3.360 20 10 FGCDMN Cc1ccc(O)c(CNCc2cn(-c3ccccc3Br)nn2)c1 ZINC000733328143 722495655 /nfs/dbraw/zinc/49/56/55/722495655.db2.gz INJBDTBKZKQGFM-UHFFFAOYSA-N 0 1 373.254 3.334 20 10 FGCDMN CCCCNC(=O)[C@H](C)N(CC)Cc1cc(Br)ccc1O ZINC000743871099 722572093 /nfs/dbraw/zinc/57/20/93/722572093.db2.gz QORDJESXFDJEQQ-LBPRGKRZSA-N 0 1 357.292 3.281 20 10 FGCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000753136974 722886697 /nfs/dbraw/zinc/88/66/97/722886697.db2.gz GIRFJNYZFRWUHM-OALUTQOASA-N 0 1 361.555 3.071 20 10 FGCDMN Cc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Br)c1 ZINC000753717565 722910454 /nfs/dbraw/zinc/91/04/54/722910454.db2.gz MXXFSEWSVJNCPQ-GXDHUFHOSA-N 0 1 357.207 3.219 20 10 FGCDMN CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CCC1 ZINC000754101552 722927491 /nfs/dbraw/zinc/92/74/91/722927491.db2.gz GVTVIOVTPUQSNY-LLVKDONJSA-N 0 1 355.276 3.112 20 10 FGCDMN CC(C)[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)N1CCCC1 ZINC000756703549 722968878 /nfs/dbraw/zinc/96/88/78/722968878.db2.gz DQYNABZCSYZRPM-LRDDRELGSA-N 0 1 369.303 3.452 20 10 FGCDMN Cc1ccc2nc(CNC(=O)NCCCSc3nccs3)[nH]c2c1 ZINC000759583804 723010142 /nfs/dbraw/zinc/01/01/42/723010142.db2.gz KRSCDXUODBGFRK-UHFFFAOYSA-N 0 1 361.496 3.309 20 10 FGCDMN Cc1cc(O)c(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC000793265269 723418714 /nfs/dbraw/zinc/41/87/14/723418714.db2.gz HHZBKGDUMMKAOS-MRXNPFEDSA-N 0 1 363.255 3.088 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000793365782 723430748 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O=C1/C(=C\c2cc(O)ccc2[N+](=O)[O-])SC(=S)N1c1cccnc1 ZINC000772807336 723768717 /nfs/dbraw/zinc/76/87/17/723768717.db2.gz RZKLAQKKDBPZPL-NTUHNPAUSA-N 0 1 359.388 3.101 20 10 FGCDMN COC(=O)CN(Cc1cc(Br)cc(C)c1O)C1CCCC1 ZINC000775724669 724031265 /nfs/dbraw/zinc/03/12/65/724031265.db2.gz GRJALSKXCRYPBX-UHFFFAOYSA-N 0 1 356.260 3.381 20 10 FGCDMN Cc1nccnc1N1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000799735587 724089442 /nfs/dbraw/zinc/08/94/42/724089442.db2.gz ABJBRRSREYJMNB-UHFFFAOYSA-N 0 1 353.253 3.120 20 10 FGCDMN COc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c1 ZINC000776692812 724171043 /nfs/dbraw/zinc/17/10/43/724171043.db2.gz DNOZLUYXADNLIW-KBPBESRZSA-N 0 1 350.459 3.231 20 10 FGCDMN CCS(=O)(=O)C[C@@H](C)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800492682 724202591 /nfs/dbraw/zinc/20/25/91/724202591.db2.gz DYQYVDQEFCBBPD-LSDHHAIUSA-N 0 1 372.962 3.489 20 10 FGCDMN C[C@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000800505673 724205164 /nfs/dbraw/zinc/20/51/64/724205164.db2.gz XCTFWTHWCDOPMU-KRWDZBQOSA-N 0 1 360.523 3.061 20 10 FGCDMN CCOC(=O)[C@@H](CCOC(C)(C)C)NCc1cc(Cl)cc(F)c1O ZINC000789579326 725137198 /nfs/dbraw/zinc/13/71/98/725137198.db2.gz XAMCIAKKLHFAMO-CQSZACIVSA-N 0 1 361.841 3.411 20 10 FGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789597365 725137975 /nfs/dbraw/zinc/13/79/75/725137975.db2.gz RPUKUUWXQCYWTR-QGZVFWFLSA-N 0 1 362.832 3.418 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-n2cncn2)cc1 ZINC000807835829 725171342 /nfs/dbraw/zinc/17/13/42/725171342.db2.gz ATDOANPTKUKSJJ-UHFFFAOYSA-N 0 1 363.204 3.210 20 10 FGCDMN CC(C)c1nnc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000807837370 725171571 /nfs/dbraw/zinc/17/15/71/725171571.db2.gz NHFYZGFXEGZQJV-UHFFFAOYSA-N 0 1 358.225 3.454 20 10 FGCDMN COC(=O)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837424 725171661 /nfs/dbraw/zinc/17/16/61/725171661.db2.gz PKIPBJDGYWSOFB-UHFFFAOYSA-N 0 1 354.189 3.416 20 10 FGCDMN COCCNC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000808090299 725183254 /nfs/dbraw/zinc/18/32/54/725183254.db2.gz XZHOOZLCDSEWPM-UHFFFAOYSA-N 0 1 370.236 3.082 20 10 FGCDMN COc1cc(Cl)cc(CN2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000809710469 725261263 /nfs/dbraw/zinc/26/12/63/725261263.db2.gz YXEVSCATMGTCEI-AWEZNQCLSA-N 0 1 356.850 3.107 20 10 FGCDMN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000809713370 725261622 /nfs/dbraw/zinc/26/16/22/725261622.db2.gz NLUZRRFNZGKKCJ-MJVIPROJSA-N 0 1 356.260 3.222 20 10 FGCDMN Cc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])ccc1-n1cncn1 ZINC000809713767 725261890 /nfs/dbraw/zinc/26/18/90/725261890.db2.gz ZGJLZWSPRVRDBB-UHFFFAOYSA-N 0 1 373.254 3.334 20 10 FGCDMN Cc1cc(Br)cc(CN2CCCN(CC(F)F)CC2)c1O ZINC000809756227 725265761 /nfs/dbraw/zinc/26/57/61/725265761.db2.gz FJPCBVSYAQIFSG-UHFFFAOYSA-N 0 1 363.246 3.236 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810235709 725298611 /nfs/dbraw/zinc/29/86/11/725298611.db2.gz UIHSKTWTBNHSEM-OCCSQVGLSA-N 0 1 365.417 3.419 20 10 FGCDMN CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240875 725299093 /nfs/dbraw/zinc/29/90/93/725299093.db2.gz HSXVKTHAGISXTM-OAHLLOKOSA-N 0 1 357.376 3.495 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Br)c(F)cc1[O-] ZINC000810254679 725300294 /nfs/dbraw/zinc/30/02/94/725300294.db2.gz PIMQBLXMVCISMO-IUCAKERBSA-N 0 1 354.223 3.225 20 10 FGCDMN O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000811510983 725371218 /nfs/dbraw/zinc/37/12/18/725371218.db2.gz BHZFFRIMOHYZOM-AWEZNQCLSA-N 0 1 356.825 3.428 20 10 FGCDMN O=C([N-]C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)C(F)(F)F ZINC000811515148 725372044 /nfs/dbraw/zinc/37/20/44/725372044.db2.gz NNAODNOLZSXGLH-SECBINFHSA-N 0 1 368.758 3.075 20 10 FGCDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)C(F)(F)F ZINC000811515148 725372045 /nfs/dbraw/zinc/37/20/45/725372045.db2.gz NNAODNOLZSXGLH-SECBINFHSA-N 0 1 368.758 3.075 20 10 FGCDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683078 726904837 /nfs/dbraw/zinc/90/48/37/726904837.db2.gz SEOHXKITKWBOFR-UHFFFAOYSA-N 0 1 356.165 3.119 20 10 FGCDMN Cc1nc2ccnn2c(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813685155 726905236 /nfs/dbraw/zinc/90/52/36/726905236.db2.gz CJQIYRJCYVUHJV-UHFFFAOYSA-N 0 1 365.220 3.289 20 10 FGCDMN c1csc([C@H](NCc2ccc(N3CCSCC3)cc2)c2nnc[nH]2)c1 ZINC000815560419 727083819 /nfs/dbraw/zinc/08/38/19/727083819.db2.gz HKRHMAOYKMWMSR-KRWDZBQOSA-N 0 1 371.535 3.299 20 10 FGCDMN Oc1cccc(CN2CCN(Cc3cc(Cl)c(F)cc3O)CC2)c1 ZINC000816500376 727168438 /nfs/dbraw/zinc/16/84/38/727168438.db2.gz RVVBZNDWQPXUIC-UHFFFAOYSA-N 0 1 350.821 3.208 20 10 FGCDMN O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816615063 727180842 /nfs/dbraw/zinc/18/08/42/727180842.db2.gz MCVXPCTYZBVDOH-ZDUSSCGKSA-N 0 1 356.825 3.428 20 10 FGCDMN CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1c(O)ccc(Cl)c1F ZINC000822525382 729190422 /nfs/dbraw/zinc/19/04/22/729190422.db2.gz GBNBXJFAGJBIDY-MRXNPFEDSA-N 0 1 362.832 3.248 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000824445722 729339220 /nfs/dbraw/zinc/33/92/20/729339220.db2.gz LNVFAGUZFXGCKU-ZDUSSCGKSA-N 0 1 353.304 3.379 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000824445722 729339222 /nfs/dbraw/zinc/33/92/22/729339222.db2.gz LNVFAGUZFXGCKU-ZDUSSCGKSA-N 0 1 353.304 3.379 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824583763 729349081 /nfs/dbraw/zinc/34/90/81/729349081.db2.gz QHLGVGZWKMPSGE-GDBMZVCRSA-N 0 1 360.420 3.299 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824584054 729349093 /nfs/dbraw/zinc/34/90/93/729349093.db2.gz VWQRHOKSZGLMCC-HOCLYGCPSA-N 0 1 360.420 3.299 20 10 FGCDMN COc1ccccc1C[N@H+](CCO)Cc1ccc(Br)cc1[O-] ZINC000824593876 729349755 /nfs/dbraw/zinc/34/97/55/729349755.db2.gz SULMMEZPUQSIIC-UHFFFAOYSA-N 0 1 366.255 3.158 20 10 FGCDMN COc1ccccc1C[N@@H+](CCO)Cc1ccc(Br)cc1[O-] ZINC000824593876 729349758 /nfs/dbraw/zinc/34/97/58/729349758.db2.gz SULMMEZPUQSIIC-UHFFFAOYSA-N 0 1 366.255 3.158 20 10 FGCDMN Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825320076 729378661 /nfs/dbraw/zinc/37/86/61/729378661.db2.gz FMAXCQMQGLQTGL-JTQLQIEISA-N 0 1 352.276 3.226 20 10 FGCDMN Cc1cc(O)c(CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1Cl ZINC000825369419 729380780 /nfs/dbraw/zinc/38/07/80/729380780.db2.gz BJKBHHMXAOQJAM-CYBMUJFWSA-N 0 1 362.821 3.009 20 10 FGCDMN COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825489041 729384946 /nfs/dbraw/zinc/38/49/46/729384946.db2.gz CIRJQFNBOKWDHR-AWEZNQCLSA-N 0 1 354.244 3.485 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000825773666 729395018 /nfs/dbraw/zinc/39/50/18/729395018.db2.gz MWTHUCPHLUHLLZ-SFHVURJKSA-N 0 1 362.267 3.468 20 10 FGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000825949071 729400631 /nfs/dbraw/zinc/40/06/31/729400631.db2.gz OVXPJCMTMCAYGB-NSHDSACASA-N 0 1 364.795 3.245 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1[O-] ZINC000827849125 729435934 /nfs/dbraw/zinc/43/59/34/729435934.db2.gz AHSNXCFNLJLPTD-CALCHBBNSA-N 0 1 352.818 3.346 20 10 FGCDMN CCn1cc([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000836641683 729963663 /nfs/dbraw/zinc/96/36/63/729963663.db2.gz KJRDKZYZQKYWBM-SECBINFHSA-N 0 1 357.241 3.476 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c(Cl)c1 ZINC000840892328 730188994 /nfs/dbraw/zinc/18/89/94/730188994.db2.gz QYPIZFNCFFKJBR-NSHDSACASA-N 0 1 357.784 3.162 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)cc1[O-] ZINC000841745542 730270191 /nfs/dbraw/zinc/27/01/91/730270191.db2.gz PSVGGKGDAQVJDK-RDTXWAMCSA-N 0 1 360.885 3.115 20 10 FGCDMN C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752709 730270817 /nfs/dbraw/zinc/27/08/17/730270817.db2.gz VFSFEGOARXOUJH-STQMWFEESA-N 0 1 357.841 3.495 20 10 FGCDMN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841757844 730271373 /nfs/dbraw/zinc/27/13/73/730271373.db2.gz GDBHFRFZLIXNFF-ADLMAVQZSA-N 0 1 351.830 3.447 20 10 FGCDMN COc1cccc(C[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)[O-])c1 ZINC000841820251 730278838 /nfs/dbraw/zinc/27/88/38/730278838.db2.gz OLFHMFWPXBLOGB-LBPRGKRZSA-N 0 1 367.804 3.226 20 10 FGCDMN COc1cc(CN2CCO[C@@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC000842626165 730521393 /nfs/dbraw/zinc/52/13/93/730521393.db2.gz VEPPTSUBVFNYCS-IBGZPJMESA-N 0 1 351.512 3.406 20 10 FGCDMN Cn1nccc1[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C ZINC000843432764 730620621 /nfs/dbraw/zinc/62/06/21/730620621.db2.gz PLLCZEIIAAKJKI-AWEZNQCLSA-N 0 1 369.824 3.091 20 10 FGCDMN COc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(F)c1 ZINC000844268242 730696242 /nfs/dbraw/zinc/69/62/42/730696242.db2.gz HDUVWDKHKZRYFD-OQLLNIDSSA-N 0 1 366.483 3.130 20 10 FGCDMN COC(=O)[C@H](NCc1cc(Cl)cc(F)c1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000846109996 730929798 /nfs/dbraw/zinc/92/97/98/730929798.db2.gz WFAIYQJZRNQBPE-WDBKCZKBSA-N 0 1 359.825 3.021 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000848078720 731127541 /nfs/dbraw/zinc/12/75/41/731127541.db2.gz CFVIXXPOGZVVHP-UHFFFAOYSA-N 0 1 354.193 3.002 20 10 FGCDMN COC(=O)c1cc(CNCc2ccc(N3CCSCC3)cc2)c(C)o1 ZINC000848895716 731218312 /nfs/dbraw/zinc/21/83/12/731218312.db2.gz WSGYWUAPLYWVCF-UHFFFAOYSA-N 0 1 360.479 3.218 20 10 FGCDMN COc1cc(Cl)cc(CN2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848925034 731221379 /nfs/dbraw/zinc/22/13/79/731221379.db2.gz LKQNNBWWYXASIH-UHFFFAOYSA-N 0 1 363.845 3.196 20 10 FGCDMN Cn1ncc(C(F)(F)F)c1CNCc1ccc(N2CCSCC2)cc1 ZINC000850034084 731311565 /nfs/dbraw/zinc/31/15/65/731311565.db2.gz HAYPCUHXSHYYML-UHFFFAOYSA-N 0 1 370.444 3.282 20 10 FGCDMN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000850501806 731365677 /nfs/dbraw/zinc/36/56/77/731365677.db2.gz POEGAZANGXGQKZ-FAXLKDOZSA-N 0 1 372.303 3.371 20 10 FGCDMN CC[C@@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850559096 731373292 /nfs/dbraw/zinc/37/32/92/731373292.db2.gz XIDDTJWCGYUEND-CYBMUJFWSA-N 0 1 365.417 3.419 20 10 FGCDMN COc1ncc(Br)cc1CNCc1ccc(N(C)C)cc1 ZINC000858249278 732196722 /nfs/dbraw/zinc/19/67/22/732196722.db2.gz NJTCKLNHDJPTII-UHFFFAOYSA-N 0 1 350.260 3.209 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000858498834 732220859 /nfs/dbraw/zinc/22/08/59/732220859.db2.gz VXJNBFYSQPQLDN-FSPWUOQZSA-N 0 1 362.495 3.056 20 10 FGCDMN CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000858505542 732221515 /nfs/dbraw/zinc/22/15/15/732221515.db2.gz MBRACTICESXPDZ-GWCFXTLKSA-N 0 1 354.244 3.457 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000858527213 732223829 /nfs/dbraw/zinc/22/38/29/732223829.db2.gz PGXJPSBJFORTRM-TZMCWYRMSA-N 0 1 370.877 3.332 20 10 FGCDMN C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1[O-] ZINC000858563892 732227360 /nfs/dbraw/zinc/22/73/60/732227360.db2.gz ADLHVVWHOIVTNN-LLVKDONJSA-N 0 1 362.813 3.106 20 10 FGCDMN COc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sn1 ZINC000876946881 736166371 /nfs/dbraw/zinc/16/63/71/736166371.db2.gz XFRARYGAPBARDP-STQMWFEESA-N 0 1 365.474 3.194 20 10 FGCDMN C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Br)ccc1[O-] ZINC000883276598 737545192 /nfs/dbraw/zinc/54/51/92/737545192.db2.gz NCZNIWVAOLFRLT-AAEUAGOBSA-N 0 1 354.244 3.250 20 10 FGCDMN COc1ccc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1OC ZINC000892204334 739975265 /nfs/dbraw/zinc/97/52/65/739975265.db2.gz KJBAMJFGICXMME-YMXBGEKHSA-N 0 1 363.479 3.340 20 10 FGCDMN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Br)cc(F)c3O)[C@@H]2C1 ZINC000894095348 742238551 /nfs/dbraw/zinc/23/85/51/742238551.db2.gz PQJKMLWAOPKJOG-YUELXQCFSA-N 0 1 374.250 3.062 20 10 FGCDMN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cc(Br)cc(F)c1[O-])C2 ZINC000894749262 742326959 /nfs/dbraw/zinc/32/69/59/742326959.db2.gz XPJAGULYACHYID-PBWFPOADSA-N 0 1 357.267 3.351 20 10 FGCDMN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cc(Br)cc(F)c1[O-])C2 ZINC000894749262 742326965 /nfs/dbraw/zinc/32/69/65/742326965.db2.gz XPJAGULYACHYID-PBWFPOADSA-N 0 1 357.267 3.351 20 10 FGCDMN Cn1ccc(C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000896497152 742559142 /nfs/dbraw/zinc/55/91/42/742559142.db2.gz ZILMNGBPXKFZIG-UHFFFAOYSA-N 0 1 350.260 3.268 20 10 FGCDMN C[C@H]1Cc2cc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)ccc2O1 ZINC000899261032 742901520 /nfs/dbraw/zinc/90/15/20/742901520.db2.gz XNAOCDGNSSASRX-UEMWTREESA-N 0 1 374.531 3.305 20 10 FGCDMN CC[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1[O-] ZINC000903211871 743822683 /nfs/dbraw/zinc/82/26/83/743822683.db2.gz FLKDZKFZOBMGPI-BXUZGUMPSA-N 0 1 355.276 3.064 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1[O-] ZINC000903433827 743850411 /nfs/dbraw/zinc/85/04/11/743850411.db2.gz FRWYHCUDBDOZSX-ONGXEEELSA-N 0 1 369.252 3.124 20 10 FGCDMN CC(C)(O)c1nnc(NCc2cc(Cl)cc(Br)c2O)o1 ZINC000905414302 744020561 /nfs/dbraw/zinc/02/05/61/744020561.db2.gz ZQFACAHLXHVDSE-UHFFFAOYSA-N 0 1 362.611 3.031 20 10 FGCDMN CCn1nc(C)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1C ZINC000088547746 494248575 /nfs/dbraw/zinc/24/85/75/494248575.db2.gz DNNQUDFGTXLAOD-UHFFFAOYSA-N 0 1 351.472 3.458 20 10 FGCDMN C[C@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)ccc1[O-] ZINC000186073925 495846024 /nfs/dbraw/zinc/84/60/24/495846024.db2.gz QCBDHMLVWXLMRV-LBPRGKRZSA-N 0 1 358.276 3.391 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1[O-] ZINC000183146362 495853879 /nfs/dbraw/zinc/85/38/79/495853879.db2.gz FRZIDMIDQGEBOX-OSPHWJPCSA-N 0 1 365.882 3.458 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1cc(Br)ccc1[O-] ZINC000186178998 495885924 /nfs/dbraw/zinc/88/59/24/495885924.db2.gz ABKDTHRTAAIAEO-NSHDSACASA-N 0 1 350.260 3.467 20 10 FGCDMN C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000187838376 496589464 /nfs/dbraw/zinc/58/94/64/496589464.db2.gz NGVRGIZLWDBRKJ-NSHDSACASA-N 0 1 368.405 3.383 20 10 FGCDMN Cc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158050264 496616126 /nfs/dbraw/zinc/61/61/26/496616126.db2.gz OTSRHQKYVPCWQK-GOSISDBHSA-N 0 1 373.884 3.072 20 10 FGCDMN Cc1cc(C[C@@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000158210235 496650818 /nfs/dbraw/zinc/65/08/18/496650818.db2.gz RBAQDBAFADOSOD-MRXNPFEDSA-N 0 1 369.513 3.481 20 10 FGCDMN COC(=O)C=Cc1ccc(N2CCC(c3cc(C)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000273482689 496818083 /nfs/dbraw/zinc/81/80/83/496818083.db2.gz LGNUULRPPVIOQM-GQCTYLIASA-N 0 1 370.409 3.197 20 10 FGCDMN CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000273555622 496837778 /nfs/dbraw/zinc/83/77/78/496837778.db2.gz GWMHTUHMGJMFHB-ZBOXLXRLSA-N 0 1 355.276 3.110 20 10 FGCDMN CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nc(C)cs1 ZINC000278472378 497126606 /nfs/dbraw/zinc/12/66/06/497126606.db2.gz HLRAZNQNBDUFQS-MRXNPFEDSA-N 0 1 351.428 3.489 20 10 FGCDMN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000279120856 497340497 /nfs/dbraw/zinc/34/04/97/497340497.db2.gz QCUYUAWMVJAQSZ-JTQLQIEISA-N 0 1 364.243 3.359 20 10 FGCDMN CN(C)c1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000277009149 497713327 /nfs/dbraw/zinc/71/33/27/497713327.db2.gz LAZVZLZBYDFTKY-UHFFFAOYSA-N 0 1 352.887 3.099 20 10 FGCDMN C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(Br)cc1[O-] ZINC000289652574 498232770 /nfs/dbraw/zinc/23/27/70/498232770.db2.gz GICMNLIPDUGPRT-NSHDSACASA-N 0 1 350.260 3.467 20 10 FGCDMN CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(Cc2c(O)ccc(Cl)c2F)C1 ZINC000365255455 498376533 /nfs/dbraw/zinc/37/65/33/498376533.db2.gz KFPANVISZNWGTF-GXFFZTMASA-N 0 1 367.808 3.407 20 10 FGCDMN CN(CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccccc1O ZINC000362774926 498550858 /nfs/dbraw/zinc/55/08/58/498550858.db2.gz NFILFPOZMYJYRW-UHFFFAOYSA-N 0 1 368.477 3.032 20 10 FGCDMN Cc1cc(N(C)C)ccc1CNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302884745 498616637 /nfs/dbraw/zinc/61/66/37/498616637.db2.gz LYFKMQNAJMCTPF-UHFFFAOYSA-N 0 1 350.348 3.358 20 10 FGCDMN CN(C)c1ccc(CNc2nc(C(F)(F)F)nc3[nH]cnc32)cc1F ZINC000302886727 498618633 /nfs/dbraw/zinc/61/86/33/498618633.db2.gz NGWGTVGPJJMSOV-UHFFFAOYSA-N 0 1 354.311 3.189 20 10 FGCDMN CC(C)OCCOCc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000295298886 498971921 /nfs/dbraw/zinc/97/19/21/498971921.db2.gz QUZNNSSMQAWVQM-UHFFFAOYSA-N 0 1 363.385 3.431 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000295498043 499034875 /nfs/dbraw/zinc/03/48/75/499034875.db2.gz HEGVVQZDXMSMCT-UONOGXRCSA-N 0 1 372.852 3.029 20 10 FGCDMN Cc1cnc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)o1 ZINC000573163919 506133505 /nfs/dbraw/zinc/13/35/05/506133505.db2.gz MSPXFRHNFLWDFG-UHFFFAOYSA-N 0 1 352.438 3.343 20 10 FGCDMN CCOc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c1O ZINC000367418268 499196658 /nfs/dbraw/zinc/19/66/58/499196658.db2.gz GSJUQYXRAVTQKT-OAHLLOKOSA-N 0 1 357.454 3.107 20 10 FGCDMN COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799044 499333782 /nfs/dbraw/zinc/33/37/82/499333782.db2.gz UMZYBYHUBKCAPX-JKSUJKDBSA-N 0 1 366.465 3.459 20 10 FGCDMN CCc1nccc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)n1 ZINC000372950960 499444500 /nfs/dbraw/zinc/44/45/00/499444500.db2.gz PMIVWZONHFOGKM-ZDUSSCGKSA-N 0 1 372.425 3.041 20 10 FGCDMN C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000375420613 499516858 /nfs/dbraw/zinc/51/68/58/499516858.db2.gz XBVLYSFZNUIRPW-LXZKKBNFSA-N 0 1 360.281 3.451 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Br)cc(F)c1[O-] ZINC000377796396 499735305 /nfs/dbraw/zinc/73/53/05/499735305.db2.gz NLGCMNVKGLPEQB-SCZZXKLOSA-N 0 1 354.223 3.225 20 10 FGCDMN CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000378007545 499754783 /nfs/dbraw/zinc/75/47/83/499754783.db2.gz QEGPYYQBTJFSGE-ROUUACIJSA-N 0 1 362.445 3.099 20 10 FGCDMN CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007545 499754785 /nfs/dbraw/zinc/75/47/85/499754785.db2.gz QEGPYYQBTJFSGE-ROUUACIJSA-N 0 1 362.445 3.099 20 10 FGCDMN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000378007545 499754786 /nfs/dbraw/zinc/75/47/86/499754786.db2.gz QEGPYYQBTJFSGE-ROUUACIJSA-N 0 1 362.445 3.099 20 10 FGCDMN COCC[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000412491899 499857966 /nfs/dbraw/zinc/85/79/66/499857966.db2.gz XETGHQUUOCKHOH-QGZVFWFLSA-N 0 1 371.525 3.197 20 10 FGCDMN CCCCOCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444047569 500796304 /nfs/dbraw/zinc/79/63/04/500796304.db2.gz ULALVHXDGHCWHB-UHFFFAOYSA-N 0 1 371.525 3.341 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@@H](C)C2)C1 ZINC000436036064 501061278 /nfs/dbraw/zinc/06/12/78/501061278.db2.gz WZIJITFBBVNAQS-DLBZAZTESA-N 0 1 369.509 3.092 20 10 FGCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000472230050 502278285 /nfs/dbraw/zinc/27/82/85/502278285.db2.gz LPUOEVCKQHYKLH-NVXWUHKLSA-N 0 1 354.498 3.255 20 10 FGCDMN CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1Cc1ccccc1 ZINC000529805538 503709945 /nfs/dbraw/zinc/70/99/45/503709945.db2.gz USCKLBQGWVQREQ-GOSISDBHSA-N 0 1 354.450 3.080 20 10 FGCDMN Cc1ocnc1CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000517839537 503848096 /nfs/dbraw/zinc/84/80/96/503848096.db2.gz NCGMBBJZWUFXPQ-UHFFFAOYSA-N 0 1 366.465 3.021 20 10 FGCDMN CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736950489 599704862 /nfs/dbraw/zinc/70/48/62/599704862.db2.gz DFTSNDPMDCZMEG-OAHLLOKOSA-N 0 1 370.449 3.124 20 10 FGCDMN O=C([O-])C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1O ZINC000739794101 600143564 /nfs/dbraw/zinc/14/35/64/600143564.db2.gz QZNCRYWELHLXMD-UHFFFAOYSA-N 0 1 364.785 3.083 20 10 FGCDMN COc1ccccc1C[N@@H+](CCO)Cc1cccc(Br)c1[O-] ZINC000091790524 700425796 /nfs/dbraw/zinc/42/57/96/700425796.db2.gz BBZSQCYISHVPQW-UHFFFAOYSA-N 0 1 366.255 3.158 20 10 FGCDMN C[C@](O)(C[NH2+]Cc1cc(Br)ccc1[O-])c1ccc(F)cc1F ZINC000114509026 700578406 /nfs/dbraw/zinc/57/84/06/700578406.db2.gz ZQQIAAZNLZLLEH-INIZCTEOSA-N 0 1 372.209 3.430 20 10 FGCDMN CC1=C(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000133825030 704806300 /nfs/dbraw/zinc/80/63/00/704806300.db2.gz SWOATGCUFPDOFE-INIZCTEOSA-N 0 1 364.873 3.211 20 10 FGCDMN CC1=C(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)CCCO1 ZINC000133825030 704806306 /nfs/dbraw/zinc/80/63/06/704806306.db2.gz SWOATGCUFPDOFE-INIZCTEOSA-N 0 1 364.873 3.211 20 10 FGCDMN CC1=C(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)CCCO1 ZINC000133825030 704806312 /nfs/dbraw/zinc/80/63/12/704806312.db2.gz SWOATGCUFPDOFE-INIZCTEOSA-N 0 1 364.873 3.211 20 10 FGCDMN CCc1nsc(N2CCN(Cc3cc4c(cc3O)CCCC4)CC2)n1 ZINC000160318499 705249764 /nfs/dbraw/zinc/24/97/64/705249764.db2.gz BOZGBGJHYVEEQE-UHFFFAOYSA-N 0 1 358.511 3.007 20 10 FGCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176676529 705584759 /nfs/dbraw/zinc/58/47/59/705584759.db2.gz KVNPGEIXYGPZGZ-UHFFFAOYSA-N 0 1 356.787 3.371 20 10 FGCDMN CCc1nc(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)n[nH]1 ZINC000181756178 705807928 /nfs/dbraw/zinc/80/79/28/705807928.db2.gz VZUCJDILJBNXDI-UHFFFAOYSA-N 0 1 356.451 3.407 20 10 FGCDMN CCc1noc2ncc(S(=O)(=O)Nc3cc(C)c(O)c(C)c3C)cc12 ZINC000187058997 712731682 /nfs/dbraw/zinc/73/16/82/712731682.db2.gz PGFMURGLWFIIMS-UHFFFAOYSA-N 0 1 361.423 3.217 20 10 FGCDMN Oc1ccccc1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1CCCO1 ZINC000189661889 712799158 /nfs/dbraw/zinc/79/91/58/712799158.db2.gz UWRNDYPJONWYGX-AWEZNQCLSA-N 0 1 365.367 3.290 20 10 FGCDMN COC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccc(OC)cc1OC ZINC000779180816 724398368 /nfs/dbraw/zinc/39/83/68/724398368.db2.gz MSFZKFCISWUEMH-MRXNPFEDSA-N 0 1 365.813 3.067 20 10 FGCDMN O=C(/C=C\c1ccc[nH]1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000783676459 724777951 /nfs/dbraw/zinc/77/79/51/724777951.db2.gz JTAOPYSVKVJWTH-QLBOMPFWSA-N 0 1 359.857 3.168 20 10 FGCDMN O=C(/C=C\c1ccc[nH]1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000783676459 724777955 /nfs/dbraw/zinc/77/79/55/724777955.db2.gz JTAOPYSVKVJWTH-QLBOMPFWSA-N 0 1 359.857 3.168 20 10 FGCDMN O=C(/C=C\c1ccc[nH]1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000783676459 724777956 /nfs/dbraw/zinc/77/79/56/724777956.db2.gz JTAOPYSVKVJWTH-QLBOMPFWSA-N 0 1 359.857 3.168 20 10 FGCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@H](C(F)F)CC1 ZINC000715783865 722416535 /nfs/dbraw/zinc/41/65/35/722416535.db2.gz DLTQJGROPJCCBV-NSHDSACASA-N 0 1 354.166 3.150 20 10 FGCDMN COc1ccc(CN2CCC(CNC(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000732278691 722483425 /nfs/dbraw/zinc/48/34/25/722483425.db2.gz SDIXYIPPQIYGTC-UHFFFAOYSA-N 0 1 360.479 3.104 20 10 FGCDMN O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000742393552 722556828 /nfs/dbraw/zinc/55/68/28/722556828.db2.gz YLPOZXUGVGLNDF-OKZBNKHCSA-N 0 1 356.853 3.292 20 10 FGCDMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756323544 722962839 /nfs/dbraw/zinc/96/28/39/722962839.db2.gz QXCOREJOSZDUOU-HNNXBMFYSA-N 0 1 362.788 3.452 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000756383963 722963730 /nfs/dbraw/zinc/96/37/30/722963730.db2.gz MBNHMRTZQPFURJ-NSHDSACASA-N 0 1 354.859 3.268 20 10 FGCDMN C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000756569491 722967002 /nfs/dbraw/zinc/96/70/02/722967002.db2.gz PIDVGEUEKQNJHQ-SECBINFHSA-N 0 1 355.198 3.299 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(Br)cc1[O-] ZINC000756582960 722967172 /nfs/dbraw/zinc/96/71/72/722967172.db2.gz MBCMFEHNCLZQQL-OUCADQQQSA-N 0 1 369.303 3.452 20 10 FGCDMN COC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)c1cc(F)ccc1F ZINC000792174350 723318038 /nfs/dbraw/zinc/31/80/38/723318038.db2.gz GAJDTGJSAMTXAC-OAHLLOKOSA-N 0 1 359.731 3.467 20 10 FGCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000792702912 723358859 /nfs/dbraw/zinc/35/88/59/723358859.db2.gz IRFMSYFSYLCUII-UHFFFAOYSA-N 0 1 372.399 3.271 20 10 FGCDMN CN(C)c1ccc(CN2CCS[C@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000792841568 723373312 /nfs/dbraw/zinc/37/33/12/723373312.db2.gz AYUHKJONLQULFA-HOTGVXAUSA-N 0 1 360.445 3.478 20 10 FGCDMN CN(C)c1ccc(CN[C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000793349387 723427592 /nfs/dbraw/zinc/42/75/92/723427592.db2.gz SKDYRSHYIJOJKD-MRXNPFEDSA-N 0 1 354.372 3.474 20 10 FGCDMN C[C@@H](c1nccs1)N1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000767486477 723620880 /nfs/dbraw/zinc/62/08/80/723620880.db2.gz XNFQRNDLAWHOIY-AWEZNQCLSA-N 0 1 354.479 3.276 20 10 FGCDMN CCCCN(Cc1cc2c(cc1O)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000768443054 723657735 /nfs/dbraw/zinc/65/77/35/723657735.db2.gz YDIPCVFPQPNEFT-GOSISDBHSA-N 0 1 351.512 3.060 20 10 FGCDMN Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000768940136 723672714 /nfs/dbraw/zinc/67/27/14/723672714.db2.gz HLUOSBFZFHBFLB-GFCCVEGCSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000768940136 723672715 /nfs/dbraw/zinc/67/27/15/723672715.db2.gz HLUOSBFZFHBFLB-GFCCVEGCSA-N 0 1 350.260 3.268 20 10 FGCDMN CCOC(=O)CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CC1 ZINC000769122614 723677551 /nfs/dbraw/zinc/67/75/51/723677551.db2.gz QNKJWMSWPIWCNX-UHFFFAOYSA-N 0 1 356.260 3.320 20 10 FGCDMN CCOC(=O)CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CC1 ZINC000769122614 723677552 /nfs/dbraw/zinc/67/75/52/723677552.db2.gz QNKJWMSWPIWCNX-UHFFFAOYSA-N 0 1 356.260 3.320 20 10 FGCDMN COc1c([O-])c(C[N@H+](C)CCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774823752 723933640 /nfs/dbraw/zinc/93/36/40/723933640.db2.gz UXXUPRRQYNAAJJ-UHFFFAOYSA-N 0 1 366.801 3.473 20 10 FGCDMN COc1c([O-])c(C[N@@H+](C)CCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774823752 723933643 /nfs/dbraw/zinc/93/36/43/723933643.db2.gz UXXUPRRQYNAAJJ-UHFFFAOYSA-N 0 1 366.801 3.473 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775148219 723964129 /nfs/dbraw/zinc/96/41/29/723964129.db2.gz ZJKDVTIVNQCAOO-MFKMUULPSA-N 0 1 368.193 3.290 20 10 FGCDMN CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2[O-])CC1 ZINC000775491689 723995663 /nfs/dbraw/zinc/99/56/63/723995663.db2.gz HHFAAFYMNQKTTI-QGZVFWFLSA-N 0 1 367.921 3.077 20 10 FGCDMN CC[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc(Br)ccc1[O-] ZINC000775502905 723996750 /nfs/dbraw/zinc/99/67/50/723996750.db2.gz YIVBBEBMPVGSNJ-OAHLLOKOSA-N 0 1 371.319 3.306 20 10 FGCDMN CCc1nncn1CC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000775514297 723997498 /nfs/dbraw/zinc/99/74/98/723997498.db2.gz YKYFSWVWQWGBSX-CYBMUJFWSA-N 0 1 353.264 3.050 20 10 FGCDMN CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cc(Cl)ccc1[O-] ZINC000775521961 723998179 /nfs/dbraw/zinc/99/81/79/723998179.db2.gz GNGXJWGUFLYYFC-INIZCTEOSA-N 0 1 354.878 3.114 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccc(F)cn1 ZINC000799303554 724004149 /nfs/dbraw/zinc/00/41/49/724004149.db2.gz JUKOOMFANZMHRP-INIZCTEOSA-N 0 1 369.234 3.244 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccc(F)cn1 ZINC000799303554 724004155 /nfs/dbraw/zinc/00/41/55/724004155.db2.gz JUKOOMFANZMHRP-INIZCTEOSA-N 0 1 369.234 3.244 20 10 FGCDMN COc1ccccc1C(=O)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775648381 724015716 /nfs/dbraw/zinc/01/57/16/724015716.db2.gz GPLOJZSWARQLKN-UHFFFAOYSA-N 0 1 360.841 3.012 20 10 FGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000775678602 724022609 /nfs/dbraw/zinc/02/26/09/724022609.db2.gz FXTOTHWGYHYHKG-UHFFFAOYSA-N 0 1 355.866 3.349 20 10 FGCDMN CCC[N@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805183886 725055095 /nfs/dbraw/zinc/05/50/95/725055095.db2.gz MMHIFPPPVXVHLM-NSHDSACASA-N 0 1 360.285 3.230 20 10 FGCDMN O=C(NCCOc1ncccc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000805222809 725057069 /nfs/dbraw/zinc/05/70/69/725057069.db2.gz OZYOIPMAYQJRAU-UHFFFAOYSA-N 0 1 374.199 3.111 20 10 FGCDMN Cc1nnc([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000805282137 725061702 /nfs/dbraw/zinc/06/17/02/725061702.db2.gz KVLFJXYKDJVKFY-ZCFIWIBFSA-N 0 1 361.254 3.419 20 10 FGCDMN CCn1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])c1=O ZINC000788607239 725075486 /nfs/dbraw/zinc/07/54/86/725075486.db2.gz JZJOXFVLEVZCIM-LLVKDONJSA-N 0 1 351.244 3.187 20 10 FGCDMN COc1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000806642141 725138989 /nfs/dbraw/zinc/13/89/89/725138989.db2.gz DDKQRORGCZYZIH-UHFFFAOYSA-N 0 1 356.209 3.102 20 10 FGCDMN O=C(COc1ccccc1[N+](=O)[O-])NCc1cc(Cl)cc(Cl)c1O ZINC000807836512 725171472 /nfs/dbraw/zinc/17/14/72/725171472.db2.gz ZAZIRZUJPOQCFZ-UHFFFAOYSA-N 0 1 371.176 3.302 20 10 FGCDMN C[S@](=O)c1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807839596 725172056 /nfs/dbraw/zinc/17/20/56/725172056.db2.gz PHKVUFRHOBSAKF-QHCPKHFHSA-N 0 1 372.273 3.295 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCCC2)nn1 ZINC000807840334 725172325 /nfs/dbraw/zinc/17/23/25/725172325.db2.gz ZERZABUPPMEGKG-UHFFFAOYSA-N 0 1 367.236 3.019 20 10 FGCDMN Cn1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C(F)F ZINC000807839867 725172336 /nfs/dbraw/zinc/17/23/36/725172336.db2.gz SIELDFLCJKTWNL-UHFFFAOYSA-N 0 1 350.152 3.300 20 10 FGCDMN C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(Br)cc1[O-] ZINC000808729581 725215105 /nfs/dbraw/zinc/21/51/05/725215105.db2.gz MHZLASGUOBPYLK-NCHVAJSOSA-N 0 1 364.239 3.300 20 10 FGCDMN CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC000809691940 725259202 /nfs/dbraw/zinc/25/92/02/725259202.db2.gz UEJAYSINANFMHL-AWEZNQCLSA-N 0 1 356.850 3.155 20 10 FGCDMN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cccc(Br)c1O ZINC000809696426 725259556 /nfs/dbraw/zinc/25/95/56/725259556.db2.gz JHWUIXYOPJAJMP-LDYMZIIASA-N 0 1 354.166 3.306 20 10 FGCDMN COC(=O)c1ccc(CNCc2cc(F)ccc2O)c(Br)c1 ZINC000809753388 725265179 /nfs/dbraw/zinc/26/51/79/725265179.db2.gz HHTHIIVIBOTZOX-UHFFFAOYSA-N 0 1 368.202 3.370 20 10 FGCDMN CC[C@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223335 725297758 /nfs/dbraw/zinc/29/77/58/725297758.db2.gz LABHSZMVSXVERH-MFKMUULPSA-N 0 1 353.406 3.275 20 10 FGCDMN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237401 725298853 /nfs/dbraw/zinc/29/88/53/725298853.db2.gz HSRQITQBXDRXOB-ZDUSSCGKSA-N 0 1 365.417 3.419 20 10 FGCDMN CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239878 725298990 /nfs/dbraw/zinc/29/89/90/725298990.db2.gz IXTVPBZMUMODBG-ZDUSSCGKSA-N 0 1 353.406 3.275 20 10 FGCDMN CC[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241374 725299017 /nfs/dbraw/zinc/29/90/17/725299017.db2.gz SDWZHKNZWGJSIG-ZWNOBZJWSA-N 0 1 365.417 3.417 20 10 FGCDMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 ZINC000811697190 725376995 /nfs/dbraw/zinc/37/69/95/725376995.db2.gz RSYFDTFUIROONV-UHFFFAOYSA-N 0 1 369.826 3.195 20 10 FGCDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683843 726904857 /nfs/dbraw/zinc/90/48/57/726904857.db2.gz FIQDDQZJRQQWTI-UHFFFAOYSA-N 0 1 355.177 3.466 20 10 FGCDMN CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000814171088 726944193 /nfs/dbraw/zinc/94/41/93/726944193.db2.gz KIJYPHUBSRFLAA-CYBMUJFWSA-N 0 1 366.310 3.488 20 10 FGCDMN CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000814171088 726944195 /nfs/dbraw/zinc/94/41/95/726944195.db2.gz KIJYPHUBSRFLAA-CYBMUJFWSA-N 0 1 366.310 3.488 20 10 FGCDMN CS(=O)(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816535126 727172765 /nfs/dbraw/zinc/17/27/65/727172765.db2.gz GTYBLWRBTONRHH-UHFFFAOYSA-N 0 1 356.447 3.207 20 10 FGCDMN COC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)c1cc(F)ccc1F ZINC000816574227 727177206 /nfs/dbraw/zinc/17/72/06/727177206.db2.gz AWIBJXXZXVVINX-OAHLLOKOSA-N 0 1 359.731 3.467 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000816616718 727181282 /nfs/dbraw/zinc/18/12/82/727181282.db2.gz DEQPWYKYETZPFH-OAHLLOKOSA-N 0 1 350.821 3.363 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000816616718 727181283 /nfs/dbraw/zinc/18/12/83/727181283.db2.gz DEQPWYKYETZPFH-OAHLLOKOSA-N 0 1 350.821 3.363 20 10 FGCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000822507836 729183689 /nfs/dbraw/zinc/18/36/89/729183689.db2.gz IUJNXSFKNPIYLQ-IUODEOHRSA-N 0 1 352.862 3.487 20 10 FGCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@](C)(O)c1ccccc1 ZINC000822517024 729188750 /nfs/dbraw/zinc/18/87/50/729188750.db2.gz SWBHCOJDIZEDEW-QGZVFWFLSA-N 0 1 350.802 3.293 20 10 FGCDMN CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C(N)=O ZINC000824608322 729350276 /nfs/dbraw/zinc/35/02/76/729350276.db2.gz FSYGWZQAPFNIDV-LLVKDONJSA-N 0 1 369.849 3.067 20 10 FGCDMN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650384 729353037 /nfs/dbraw/zinc/35/30/37/729353037.db2.gz ONSNOZLHECVHJB-CQSZACIVSA-N 0 1 369.303 3.283 20 10 FGCDMN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650384 729353038 /nfs/dbraw/zinc/35/30/38/729353038.db2.gz ONSNOZLHECVHJB-CQSZACIVSA-N 0 1 369.303 3.283 20 10 FGCDMN Cc1ccc([C@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])N2CCOCC2)o1 ZINC000825072156 729369802 /nfs/dbraw/zinc/36/98/02/729369802.db2.gz XSYYZJGECNVEPR-KRWDZBQOSA-N 0 1 364.873 3.419 20 10 FGCDMN CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825197106 729374290 /nfs/dbraw/zinc/37/42/90/729374290.db2.gz GIMIQJZPXITACO-LBPRGKRZSA-N 0 1 368.886 3.113 20 10 FGCDMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000825294754 729377369 /nfs/dbraw/zinc/37/73/69/729377369.db2.gz XVPFVCSMMHUWHZ-SWLSCSKDSA-N 0 1 352.862 3.487 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@@H](O)Cc1ccccc1 ZINC000825371297 729380828 /nfs/dbraw/zinc/38/08/28/729380828.db2.gz VSLHAXBRMIFLCD-WBMJQRKESA-N 0 1 350.256 3.236 20 10 FGCDMN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825548013 729387369 /nfs/dbraw/zinc/38/73/69/729387369.db2.gz AMHPXJAPLYZPQM-YPMHNXCESA-N 0 1 371.275 3.111 20 10 FGCDMN C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000827733702 729433948 /nfs/dbraw/zinc/43/39/48/729433948.db2.gz LZGYHVSUMFOHER-SJCJKPOMSA-N 0 1 350.256 3.409 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C/c3cc4cccnc4o3)SC2=S)CC1 ZINC000841495882 730249199 /nfs/dbraw/zinc/24/91/99/730249199.db2.gz JZVJSKCHRDZGGS-UVTDQMKNSA-N 0 1 359.476 3.123 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)cc1[O-] ZINC000841753669 730271099 /nfs/dbraw/zinc/27/10/99/730271099.db2.gz MZAISEXLOGLINT-SUMWQHHRSA-N 0 1 359.857 3.282 20 10 FGCDMN CN(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC000844857600 730780875 /nfs/dbraw/zinc/78/08/75/730780875.db2.gz BQIRNNWHXGYQKG-MRXNPFEDSA-N 0 1 365.836 3.287 20 10 FGCDMN C[C@@H]1CN(c2ccc(CNCc3cnc(Cl)n3C)cc2F)C[C@H](C)O1 ZINC000848530008 731176352 /nfs/dbraw/zinc/17/63/52/731176352.db2.gz BBKRDTQRFIOOJQ-BETUJISGSA-N 0 1 366.868 3.116 20 10 FGCDMN CC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cc(Br)ccc1O ZINC000850499315 731364903 /nfs/dbraw/zinc/36/49/03/731364903.db2.gz MYINKENYELGILF-XDTLVQLUSA-N 0 1 351.248 3.493 20 10 FGCDMN COc1ccc(O)c([C@@H](C)NCc2cc(OC)ncc2Br)c1 ZINC000856734199 732049326 /nfs/dbraw/zinc/04/93/26/732049326.db2.gz PICVVEGXWAJHMP-SNVBAGLBSA-N 0 1 367.243 3.418 20 10 FGCDMN Cn1ncc(C(F)(F)F)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000857508407 732134969 /nfs/dbraw/zinc/13/49/69/732134969.db2.gz RPMKJOVWXRWJKZ-UHFFFAOYSA-N 0 1 368.142 3.381 20 10 FGCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)N1CCCC[C@@H]1C ZINC000858121804 732182857 /nfs/dbraw/zinc/18/28/57/732182857.db2.gz AHGYNIMFEKAMTE-RYUDHWBXSA-N 0 1 355.276 3.034 20 10 FGCDMN C[C@H](NCc1c(O)cccc1Br)C(=O)N1CCCC[C@@H]1C ZINC000858121804 732182861 /nfs/dbraw/zinc/18/28/61/732182861.db2.gz AHGYNIMFEKAMTE-RYUDHWBXSA-N 0 1 355.276 3.034 20 10 FGCDMN Cn1ncc(C(F)(F)F)c1CNCc1c(O)cccc1Br ZINC000858210244 732192935 /nfs/dbraw/zinc/19/29/35/732192935.db2.gz JZUHJOICLGZUOJ-UHFFFAOYSA-N 0 1 364.165 3.197 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000858526471 732223835 /nfs/dbraw/zinc/22/38/35/732223835.db2.gz CGLUIBJSFRKWMU-TZMCWYRMSA-N 0 1 370.877 3.332 20 10 FGCDMN C[N@H+](Cc1c([O-])cccc1Br)C[C@@](C)(O)c1ccccc1 ZINC000862397189 732824448 /nfs/dbraw/zinc/82/44/48/732824448.db2.gz CRSOTIMJFMJZDK-QGZVFWFLSA-N 0 1 350.256 3.494 20 10 FGCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@@](C)(O)c1ccccc1 ZINC000862397189 732824454 /nfs/dbraw/zinc/82/44/54/732824454.db2.gz CRSOTIMJFMJZDK-QGZVFWFLSA-N 0 1 350.256 3.494 20 10 FGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000865783367 733269419 /nfs/dbraw/zinc/26/94/19/733269419.db2.gz PEPZMZIHMZZENX-GFCCVEGCSA-N 0 1 353.871 3.342 20 10 FGCDMN C[C@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c2c1c(F)ccc2[O-] ZINC000872118664 735591475 /nfs/dbraw/zinc/59/14/75/735591475.db2.gz FGXQZCBZQYBPSZ-JXODSGKVSA-N 0 1 353.459 3.025 20 10 FGCDMN Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877613152 736692850 /nfs/dbraw/zinc/69/28/50/736692850.db2.gz YDBLHUKVUSUTTM-UHFFFAOYSA-N 0 1 351.834 3.024 20 10 FGCDMN CC[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000883309469 737552527 /nfs/dbraw/zinc/55/25/27/737552527.db2.gz NIGMLJLOTWMWND-TZMCWYRMSA-N 0 1 365.417 3.419 20 10 FGCDMN COc1ccc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1OC ZINC000892204333 739975275 /nfs/dbraw/zinc/97/52/75/739975275.db2.gz KJBAMJFGICXMME-SHZVTRLKSA-N 0 1 363.479 3.340 20 10 FGCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000894083491 742236496 /nfs/dbraw/zinc/23/64/96/742236496.db2.gz DZDDWDCQGAJJCW-STQMWFEESA-N 0 1 362.264 3.000 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000895837940 742460332 /nfs/dbraw/zinc/46/03/32/742460332.db2.gz YQLSDAKKUCNHGE-CYBMUJFWSA-N 0 1 368.193 3.210 20 10 FGCDMN Cc1noc(C[C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000897576368 742691342 /nfs/dbraw/zinc/69/13/42/742691342.db2.gz DAFHAIJBJIKBMJ-LBPRGKRZSA-N 0 1 366.259 3.301 20 10 FGCDMN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000897576368 742691344 /nfs/dbraw/zinc/69/13/44/742691344.db2.gz DAFHAIJBJIKBMJ-LBPRGKRZSA-N 0 1 366.259 3.301 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c(Cl)c1 ZINC000898282921 742768837 /nfs/dbraw/zinc/76/88/37/742768837.db2.gz ONASCQTZCGVQMP-UHFFFAOYSA-N 0 1 368.886 3.040 20 10 FGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898724555 742826913 /nfs/dbraw/zinc/82/69/13/742826913.db2.gz NNFIWPIROUJMJV-SECBINFHSA-N 0 1 356.651 3.109 20 10 FGCDMN COc1cccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1OC ZINC000901916896 743677179 /nfs/dbraw/zinc/67/71/79/743677179.db2.gz LWRRKKYUYNYRFD-UHFFFAOYSA-N 0 1 351.424 3.135 20 10 FGCDMN CC(C)[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])c1nncn1C ZINC000903064498 743801337 /nfs/dbraw/zinc/80/13/37/743801337.db2.gz MWGSYAGLBHCQJO-YGRLFVJLSA-N 0 1 353.264 3.331 20 10 FGCDMN Cn1nc(C2CC2)cc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000927602395 760014897 /nfs/dbraw/zinc/01/48/97/760014897.db2.gz FRORHQGXEHRXOL-UHFFFAOYSA-N 0 1 369.252 3.309 20 10 FGCDMN CCOc1ccc(O)c(CN2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000092149304 494800012 /nfs/dbraw/zinc/80/00/12/494800012.db2.gz ROYVDSBIQBCYJH-UHFFFAOYSA-N 0 1 360.479 3.201 20 10 FGCDMN O=C(c1ccsc1)N1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179796313 495735827 /nfs/dbraw/zinc/73/58/27/495735827.db2.gz VVBBATLLLBJBCB-UHFFFAOYSA-N 0 1 350.871 3.455 20 10 FGCDMN CCCOc1ccc(CNCc2nc3cc(OC)ccc3n2C)c(O)c1 ZINC000185833885 495743253 /nfs/dbraw/zinc/74/32/53/495743253.db2.gz YRGSQKPTBGYWMZ-UHFFFAOYSA-N 0 1 355.438 3.366 20 10 FGCDMN Cc1cccc(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c1O ZINC000179867306 495764086 /nfs/dbraw/zinc/76/40/86/495764086.db2.gz KXXHCMVYJNNLSJ-UHFFFAOYSA-N 0 1 363.479 3.005 20 10 FGCDMN Cc1cccc(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1O ZINC000179867306 495764090 /nfs/dbraw/zinc/76/40/90/495764090.db2.gz KXXHCMVYJNNLSJ-UHFFFAOYSA-N 0 1 363.479 3.005 20 10 FGCDMN Cc1ncc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1 ZINC000151529460 495869292 /nfs/dbraw/zinc/86/92/92/495869292.db2.gz DHYUGHOPYKHCOP-ZDUSSCGKSA-N 0 1 358.461 3.044 20 10 FGCDMN COc1cc(O)c(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000180678056 496100655 /nfs/dbraw/zinc/10/06/55/496100655.db2.gz YLHFNFQYLISCGW-YMXBGEKHSA-N 0 1 363.479 3.340 20 10 FGCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000184676559 496488630 /nfs/dbraw/zinc/48/86/30/496488630.db2.gz DTWFZIOZAZVVIR-UHFFFAOYSA-N 0 1 374.868 3.449 20 10 FGCDMN C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000187838400 496590031 /nfs/dbraw/zinc/59/00/31/496590031.db2.gz NGVRGIZLWDBRKJ-LLVKDONJSA-N 0 1 368.405 3.383 20 10 FGCDMN CN(C)Cc1ccsc1C(=O)NCc1cccc(Br)c1O ZINC000277458196 496780294 /nfs/dbraw/zinc/78/02/94/496780294.db2.gz GUHZLHRXMMFDDZ-UHFFFAOYSA-N 0 1 369.284 3.208 20 10 FGCDMN COc1ccc(O)c([C@@H](C)NCc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273380868 496788577 /nfs/dbraw/zinc/78/85/77/496788577.db2.gz IFYJWHXLECKAQN-SNVBAGLBSA-N 0 1 366.343 3.313 20 10 FGCDMN CCN1CCN(c2ccc(CNc3nnc(C(F)F)s3)cc2F)CC1 ZINC000269407909 496939892 /nfs/dbraw/zinc/93/98/92/496939892.db2.gz YQEQFYWZYIKJJJ-UHFFFAOYSA-N 0 1 371.432 3.369 20 10 FGCDMN CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C[C@H](O)C(F)(F)F ZINC000274045240 497001216 /nfs/dbraw/zinc/00/12/16/497001216.db2.gz MDXCKVSWVGZSLJ-KRWDZBQOSA-N 0 1 360.420 3.047 20 10 FGCDMN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000192953891 497257633 /nfs/dbraw/zinc/25/76/33/497257633.db2.gz QUOAVKGRNOAZCL-CQSZACIVSA-N 0 1 362.495 3.010 20 10 FGCDMN O=C(c1cccc(O)c1O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000279894086 497579692 /nfs/dbraw/zinc/57/96/92/497579692.db2.gz SXTZIACLKNFMIG-CQSZACIVSA-N 0 1 370.453 3.283 20 10 FGCDMN C[N@@H+](CCCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000276677683 497626559 /nfs/dbraw/zinc/62/65/59/497626559.db2.gz PYSJVWMGYZPWTD-UHFFFAOYSA-N 0 1 367.081 3.122 20 10 FGCDMN COCCN(Cc1ccccn1)Cc1cc(Br)ccc1O ZINC000289773474 498287558 /nfs/dbraw/zinc/28/75/58/498287558.db2.gz KROKEYQDPKKTCU-UHFFFAOYSA-N 0 1 351.244 3.198 20 10 FGCDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000365820899 498655885 /nfs/dbraw/zinc/65/58/85/498655885.db2.gz OQMHWEMHGFPQKD-NSHDSACASA-N 0 1 350.806 3.067 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cc(Br)ccc1[O-] ZINC000283173960 498806630 /nfs/dbraw/zinc/80/66/30/498806630.db2.gz JJPRDNPGPKXEFZ-QMTHXVAHSA-N 0 1 353.260 3.007 20 10 FGCDMN Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c1O ZINC000288284353 498984523 /nfs/dbraw/zinc/98/45/23/498984523.db2.gz HKOANULWWIJIDE-QFIPXVFZSA-N 0 1 366.461 3.144 20 10 FGCDMN CC(=O)N(c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1)[C@H]1C[C@@H]1C ZINC000295686688 499081251 /nfs/dbraw/zinc/08/12/51/499081251.db2.gz WECDAFRYFODJJT-BONVTDFDSA-N 0 1 358.369 3.251 20 10 FGCDMN O=C(c1ccc[nH]1)N1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000372513150 499136719 /nfs/dbraw/zinc/13/67/19/499136719.db2.gz NOSBMUKNZUTCNA-UHFFFAOYSA-N 0 1 366.509 3.353 20 10 FGCDMN Cc1ccc([C@@H](C)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c(O)c1 ZINC000369901969 499148414 /nfs/dbraw/zinc/14/84/14/499148414.db2.gz JDCZEOPBWOSEJS-VXGBXAGGSA-N 0 1 354.376 3.268 20 10 FGCDMN CCc1nc(CN2CCC[C@@H]([N@@H+](C)[C@@H](C)c3cc(OC)ccc3O)C2)no1 ZINC000368030324 499257290 /nfs/dbraw/zinc/25/72/90/499257290.db2.gz MYBOKLKAWSBSDR-LSDHHAIUSA-N 0 1 374.485 3.004 20 10 FGCDMN CCN(CC)c1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1F ZINC000369134952 499369308 /nfs/dbraw/zinc/36/93/08/499369308.db2.gz RECGKBRPDFJRMJ-LJQANCHMSA-N 0 1 360.477 3.341 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000375439898 499519195 /nfs/dbraw/zinc/51/91/95/499519195.db2.gz UMEKWWKQJPZDGP-GFCCVEGCSA-N 0 1 361.829 3.498 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000375439898 499519196 /nfs/dbraw/zinc/51/91/96/499519196.db2.gz UMEKWWKQJPZDGP-GFCCVEGCSA-N 0 1 361.829 3.498 20 10 FGCDMN COc1cc(Cl)cc(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000377680323 499719200 /nfs/dbraw/zinc/71/92/00/499719200.db2.gz UWPULVGATVUKMV-OAHLLOKOSA-N 0 1 366.845 3.450 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccc[nH]2)C1 ZINC000444296547 500831514 /nfs/dbraw/zinc/83/15/14/500831514.db2.gz YXHRWFCQYJJXCI-UHFFFAOYSA-N 0 1 350.466 3.052 20 10 FGCDMN CC[C@H]1COCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435863174 501038570 /nfs/dbraw/zinc/03/85/70/501038570.db2.gz UPJPMVNTTGFYGB-KRWDZBQOSA-N 0 1 369.509 3.045 20 10 FGCDMN CO[C@H]1CC[C@@H](NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000435993570 501055005 /nfs/dbraw/zinc/05/50/05/501055005.db2.gz VOZYCRWORDNKOX-SJORKVTESA-N 0 1 369.509 3.092 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1[O-] ZINC000528639975 504305786 /nfs/dbraw/zinc/30/57/86/504305786.db2.gz MSQJXULLECJLKM-MRXNPFEDSA-N 0 1 367.873 3.002 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1[O-] ZINC000528639975 504305791 /nfs/dbraw/zinc/30/57/91/504305791.db2.gz MSQJXULLECJLKM-MRXNPFEDSA-N 0 1 367.873 3.002 20 10 FGCDMN Cn1cc([C@H]2CCC[N@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)cn1 ZINC000739026250 599958271 /nfs/dbraw/zinc/95/82/71/599958271.db2.gz IHRSCNQZXBXYMG-GOSISDBHSA-N 0 1 351.406 3.314 20 10 FGCDMN Cc1nn(C)c(C)c1C[N@@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000738909977 600426073 /nfs/dbraw/zinc/42/60/73/600426073.db2.gz HJQPDCQDYPOTQP-UHFFFAOYSA-N 0 1 353.422 3.226 20 10 FGCDMN CN(C)c1ccc(C[N@H+](CC(=O)Nc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC000830636450 604967874 /nfs/dbraw/zinc/96/78/74/604967874.db2.gz XYXAIFJMIDDIQE-UHFFFAOYSA-N 0 1 367.449 3.054 20 10 FGCDMN CN(C)c1ccc(C[N@@H+](CC(=O)Nc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC000830636450 604967876 /nfs/dbraw/zinc/96/78/76/604967876.db2.gz XYXAIFJMIDDIQE-UHFFFAOYSA-N 0 1 367.449 3.054 20 10 FGCDMN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](NC(=O)[O-])C[C@@H]2C)c1O ZINC000833897385 605996302 /nfs/dbraw/zinc/99/63/02/605996302.db2.gz JRIASVAXYZPQOK-GWCFXTLKSA-N 0 1 357.248 3.084 20 10 FGCDMN CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1cc(Br)ccc1[O-] ZINC000037781995 695755366 /nfs/dbraw/zinc/75/53/66/695755366.db2.gz NHDMNELAUURJKC-BXUZGUMPSA-N 0 1 355.276 3.206 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC(C)(C)C ZINC000076118489 700224490 /nfs/dbraw/zinc/22/44/90/700224490.db2.gz URZCXBRKPIMBHW-LLVKDONJSA-N 0 1 357.292 3.280 20 10 FGCDMN COc1ccc(N2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)cc1F ZINC000084937536 700365341 /nfs/dbraw/zinc/36/53/41/700365341.db2.gz WTCZHYXSYNCRAC-UHFFFAOYSA-N 0 1 364.804 3.156 20 10 FGCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092707785 700440367 /nfs/dbraw/zinc/44/03/67/700440367.db2.gz LXOMRMYXIURPIJ-CYBMUJFWSA-N 0 1 369.303 3.283 20 10 FGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646863 700452961 /nfs/dbraw/zinc/45/29/61/700452961.db2.gz IUTKWTIIHKYXSV-KBPBESRZSA-N 0 1 366.310 3.487 20 10 FGCDMN CCN(Cc1cc(C(N)=O)cs1)Cc1cc(Br)ccc1O ZINC000093866978 700455289 /nfs/dbraw/zinc/45/52/89/700455289.db2.gz YEIRGLACOHBCMH-UHFFFAOYSA-N 0 1 369.284 3.337 20 10 FGCDMN COC(=O)c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000119057316 700618889 /nfs/dbraw/zinc/61/88/89/700618889.db2.gz FURQTFNWAFQOPF-OAHLLOKOSA-N 0 1 361.463 3.422 20 10 FGCDMN CSCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134262993 704818662 /nfs/dbraw/zinc/81/86/62/704818662.db2.gz BNJGKPPJIXDUPF-HNNXBMFYSA-N 0 1 356.919 3.269 20 10 FGCDMN CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000228636170 713574813 /nfs/dbraw/zinc/57/48/13/713574813.db2.gz FTZWCKVNRCRTAT-SNAWJCMRSA-N 0 1 371.275 3.325 20 10 FGCDMN CCN(CC)c1ccc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000245796097 713612122 /nfs/dbraw/zinc/61/21/22/713612122.db2.gz XABQPPYGDUZODB-RBUKOAKNSA-N 0 1 352.544 3.320 20 10 FGCDMN CN(C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000779528949 724417265 /nfs/dbraw/zinc/41/72/65/724417265.db2.gz BPYOCDJBSVUEHU-AGHZKPIHSA-N 0 1 360.841 3.184 20 10 FGCDMN COc1ccc(O)c(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000780892650 724512254 /nfs/dbraw/zinc/51/22/54/724512254.db2.gz JTTLVABFPABKER-ZIAGYGMSSA-N 0 1 350.459 3.231 20 10 FGCDMN CC[C@@H](N)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978784 727289908 /nfs/dbraw/zinc/28/99/08/727289908.db2.gz DKKZKPSLFDMYSC-IONNQARKSA-N 0 1 366.097 3.305 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000731450268 722475395 /nfs/dbraw/zinc/47/53/95/722475395.db2.gz WMVJPMUKKFTMEP-UHFFFAOYSA-N 0 1 367.209 3.271 20 10 FGCDMN O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000732048902 722481044 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CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000846210888 730936788 /nfs/dbraw/zinc/93/67/88/730936788.db2.gz CWRLSBPQJZQZDL-GDBMZVCRSA-N 0 1 358.276 3.127 20 10 FGCDMN COc1cc(Br)cc([C@H](C)NCc2snnc2C)c1O ZINC000848551782 731180184 /nfs/dbraw/zinc/18/01/84/731180184.db2.gz TXWFQNAKHMTCCW-ZETCQYMHSA-N 0 1 358.261 3.174 20 10 FGCDMN Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000850384971 731350624 /nfs/dbraw/zinc/35/06/24/731350624.db2.gz VSUQINUJAWWUDF-CZUORRHYSA-N 0 1 364.287 3.389 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000850559086 731373313 /nfs/dbraw/zinc/37/33/13/731373313.db2.gz XCYDHSYZZBKVIN-RYUDHWBXSA-N 0 1 369.303 3.452 20 10 FGCDMN CCOCCOCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854474491 731832054 /nfs/dbraw/zinc/83/20/54/731832054.db2.gz MGJIXSPMYVOUQI-UHFFFAOYSA-N 0 1 350.242 3.149 20 10 FGCDMN CO[C@@H](CC(C)C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000857471837 732133089 /nfs/dbraw/zinc/13/30/89/732133089.db2.gz 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O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC000862333053 732810639 /nfs/dbraw/zinc/81/06/39/732810639.db2.gz NAZJQSWYMIFNNE-GOSISDBHSA-N 0 1 373.250 3.251 20 10 FGCDMN COc1ccc(N2CC[C@@H](NCc3ccncc3Br)C2)cc1 ZINC000865622303 733240269 /nfs/dbraw/zinc/24/02/69/733240269.db2.gz RZCOGTKNHQRFQS-CQSZACIVSA-N 0 1 362.271 3.221 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]nc1[C@@H]1CCCO1 ZINC000868358568 733586654 /nfs/dbraw/zinc/58/66/54/733586654.db2.gz QHXLVTKRLWNNKT-LBPRGKRZSA-N 0 1 356.209 3.204 20 10 FGCDMN COc1ccc(O)c(CNCc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000877733658 736711495 /nfs/dbraw/zinc/71/14/95/736711495.db2.gz VYEHBDCRDFJOFQ-UHFFFAOYSA-N 0 1 355.360 3.242 20 10 FGCDMN C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000877765424 736717144 /nfs/dbraw/zinc/71/71/44/736717144.db2.gz HQYHDDCEBCAFNT-UHFFFAOYSA-N 0 1 359.297 3.243 20 10 FGCDMN CN(CC[NH+]1CC2(C1)CCOCC2)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000877765424 736717151 /nfs/dbraw/zinc/71/71/51/736717151.db2.gz 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/nfs/dbraw/zinc/61/13/90/713611390.db2.gz HAPBBFPQEYGCNE-BLLLJJGKSA-N 0 1 365.861 3.403 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1[O-] ZINC000245749734 713611398 /nfs/dbraw/zinc/61/13/98/713611398.db2.gz HAPBBFPQEYGCNE-BLLLJJGKSA-N 0 1 365.861 3.403 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1[O-] ZINC000245749734 713611399 /nfs/dbraw/zinc/61/13/99/713611399.db2.gz HAPBBFPQEYGCNE-BLLLJJGKSA-N 0 1 365.861 3.403 20 10 FGCDMN O=C(NCCCCn1ccnc1)NCc1cc(Cl)cc(Cl)c1O ZINC000804972467 724569866 /nfs/dbraw/zinc/56/98/66/724569866.db2.gz GSXFKTYEBCLQCO-UHFFFAOYSA-N 0 1 357.241 3.175 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000781913735 724611741 /nfs/dbraw/zinc/61/17/41/724611741.db2.gz SIAXKOYYRHRFGK-AWEZNQCLSA-N 0 1 350.260 3.497 20 10 FGCDMN COC(=O)C[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CCCC1 ZINC000781907882 724610851 /nfs/dbraw/zinc/61/08/51/724610851.db2.gz GJQGQXVPORRXDV-UHFFFAOYSA-N 0 1 356.260 3.381 20 10 FGCDMN O=C(C1=CC(=O)CS1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000732283930 722483478 /nfs/dbraw/zinc/48/34/78/722483478.db2.gz XAEAXWFFPYFJDN-UHFFFAOYSA-N 0 1 354.435 3.259 20 10 FGCDMN Nc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000746291777 722597344 /nfs/dbraw/zinc/59/73/44/722597344.db2.gz NGTMTUNQHPBQPT-IBGZPJMESA-N 0 1 357.885 3.418 20 10 FGCDMN CNC(=O)Cc1nc(CN(Cc2ccccc2O)C2CCCC2)cs1 ZINC000749154004 722718084 /nfs/dbraw/zinc/71/80/84/722718084.db2.gz VMXKLYCGYYJQAH-UHFFFAOYSA-N 0 1 359.495 3.082 20 10 FGCDMN CCOC(=O)CCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000749552264 722732852 /nfs/dbraw/zinc/73/28/52/722732852.db2.gz SVYRYMJLNQOVLE-UHFFFAOYSA-N 0 1 351.418 3.289 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000753596248 722906148 /nfs/dbraw/zinc/90/61/48/722906148.db2.gz XVBQQGWEJFCSAD-UHFFFAOYSA-N 0 1 370.287 3.092 20 10 FGCDMN C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000756650218 722968252 /nfs/dbraw/zinc/96/82/52/722968252.db2.gz UKEWGAGFEGSKTG-JTQLQIEISA-N 0 1 371.275 3.425 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(Br)cc1[O-] ZINC000756787888 722970050 /nfs/dbraw/zinc/97/00/50/722970050.db2.gz SUDKDEWWYUPSKR-DGCLKSJQSA-N 0 1 356.260 3.491 20 10 FGCDMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)c(C)c1 ZINC000792703025 723358717 /nfs/dbraw/zinc/35/87/17/723358717.db2.gz OLHQZAVJNUFTCY-UHFFFAOYSA-N 0 1 367.448 3.010 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763696865 723361712 /nfs/dbraw/zinc/36/17/12/723361712.db2.gz MJDMFAXBFCRWFA-ZDUSSCGKSA-N 0 1 354.244 3.072 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763696865 723361716 /nfs/dbraw/zinc/36/17/16/723361716.db2.gz MJDMFAXBFCRWFA-ZDUSSCGKSA-N 0 1 354.244 3.072 20 10 FGCDMN Cc1cc(CN2CCC(CS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000793745784 723464068 /nfs/dbraw/zinc/46/40/68/723464068.db2.gz MNDNFTDEZBAGGQ-UHFFFAOYSA-N 0 1 353.528 3.255 20 10 FGCDMN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000796532183 723641912 /nfs/dbraw/zinc/64/19/12/723641912.db2.gz PPBCIGNRQUTTID-NXEZZACHSA-N 0 1 368.890 3.212 20 10 FGCDMN C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768183678 723649705 /nfs/dbraw/zinc/64/97/05/723649705.db2.gz OSVNIFDJWGYKOK-UHFFFAOYSA-N 0 1 364.785 3.357 20 10 FGCDMN CC(C)(C)OC(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000768224087 723650971 /nfs/dbraw/zinc/65/09/71/723650971.db2.gz RAAQLOXAYCRBKG-UHFFFAOYSA-N 0 1 371.275 3.207 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000769554273 723689554 /nfs/dbraw/zinc/68/95/54/723689554.db2.gz ASGXSBNPFVNSIN-UHFFFAOYSA-N 0 1 370.287 3.235 20 10 FGCDMN C[C@H]1CN(Cc2ccccc2O)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000770505323 723715294 /nfs/dbraw/zinc/71/52/94/723715294.db2.gz PAKWCDQWRSFGOS-HNNXBMFYSA-N 0 1 358.869 3.321 20 10 FGCDMN C[C@@H]1CN(Cc2ccccc2O)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000770505325 723715350 /nfs/dbraw/zinc/71/53/50/723715350.db2.gz PAKWCDQWRSFGOS-OAHLLOKOSA-N 0 1 358.869 3.321 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000775521530 723997805 /nfs/dbraw/zinc/99/78/05/723997805.db2.gz YFKSMMDISFKSCP-RYUDHWBXSA-N 0 1 350.768 3.250 20 10 FGCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000775555068 723999799 /nfs/dbraw/zinc/99/97/99/723999799.db2.gz IEENIDWIPHEFJA-IIAWOOMASA-N 0 1 358.276 3.389 20 10 FGCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644198 724014844 /nfs/dbraw/zinc/01/48/44/724014844.db2.gz GMVODZKNYRTOHU-SNVBAGLBSA-N 0 1 372.849 3.025 20 10 FGCDMN Oc1c(F)cc(Cl)cc1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000775663499 724019062 /nfs/dbraw/zinc/01/90/62/724019062.db2.gz CVEYIFUXBBOGPF-UHFFFAOYSA-N 0 1 374.794 3.094 20 10 FGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775701011 724027079 /nfs/dbraw/zinc/02/70/79/724027079.db2.gz AKIDCPJAXQGFCU-JTQLQIEISA-N 0 1 365.065 3.138 20 10 FGCDMN O=S1(=O)CCN(Cc2cc(Cl)cc(F)c2O)CC12CCCCC2 ZINC000775737908 724035010 /nfs/dbraw/zinc/03/50/10/724035010.db2.gz VHBLFWQWZYGZDJ-UHFFFAOYSA-N 0 1 361.866 3.118 20 10 FGCDMN NC(=O)[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])Cc1ccccc1Cl ZINC000776938697 724197819 /nfs/dbraw/zinc/19/78/19/724197819.db2.gz OSPYAFNADXWVGG-ZDUSSCGKSA-N 0 1 353.249 3.133 20 10 FGCDMN C[C@H]1CCCN(c2ccc(CNC(=O)NCCN3CCC3)cc2Cl)C1 ZINC000800718540 724223782 /nfs/dbraw/zinc/22/37/82/724223782.db2.gz AQTSXDWXWBQMKV-HNNXBMFYSA-N 0 1 364.921 3.081 20 10 FGCDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000787303443 725024260 /nfs/dbraw/zinc/02/42/60/725024260.db2.gz OQGPGXBFQSROPF-GFCCVEGCSA-N 0 1 359.297 3.384 20 10 FGCDMN COc1cccc(OCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807835953 725171338 /nfs/dbraw/zinc/17/13/38/725171338.db2.gz NQTIBRYPFPLPBF-UHFFFAOYSA-N 0 1 356.205 3.403 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(-c2nc[nH]n2)c1 ZINC000807836633 725171655 /nfs/dbraw/zinc/17/16/55/725171655.db2.gz ICQBGPMQVKYCDQ-UHFFFAOYSA-N 0 1 363.204 3.414 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2[nH]c(=O)oc2c1 ZINC000807837543 725171913 /nfs/dbraw/zinc/17/19/13/725171913.db2.gz UXRHVKGXAFFXKH-UHFFFAOYSA-N 0 1 353.161 3.476 20 10 FGCDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808113500 725184234 /nfs/dbraw/zinc/18/42/34/725184234.db2.gz BFPHRICYMSSWHU-UHFFFAOYSA-N 0 1 360.750 3.202 20 10 FGCDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808113738 725184528 /nfs/dbraw/zinc/18/45/28/725184528.db2.gz IAUIWPACQPWYBV-UHFFFAOYSA-N 0 1 360.750 3.202 20 10 FGCDMN CCN(CC)c1ccc(CN2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000809696781 725259684 /nfs/dbraw/zinc/25/96/84/725259684.db2.gz QSMAIMLVEVDNSR-KRWDZBQOSA-N 0 1 358.404 3.460 20 10 FGCDMN CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Br)cc(C)c1O ZINC000809779354 725268114 /nfs/dbraw/zinc/26/81/14/725268114.db2.gz KQXFBIAFTJGSJN-AWEZNQCLSA-N 0 1 371.275 3.174 20 10 FGCDMN CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225418 725297949 /nfs/dbraw/zinc/29/79/49/725297949.db2.gz CYHABFJPCJZQGY-GXFFZTMASA-N 0 1 353.406 3.275 20 10 FGCDMN CC[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241371 725299048 /nfs/dbraw/zinc/29/90/48/725299048.db2.gz SDWZHKNZWGJSIG-GWCFXTLKSA-N 0 1 365.417 3.417 20 10 FGCDMN CCc1nc(CN2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)cs1 ZINC000815065746 727030191 /nfs/dbraw/zinc/03/01/91/727030191.db2.gz MTFHAJLSQWEDFQ-UHFFFAOYSA-N 0 1 358.555 3.398 20 10 FGCDMN Oc1c(F)cc(Cl)cc1CN1CCc2c(nnn2-c2ccccc2)C1 ZINC000816617707 727181116 /nfs/dbraw/zinc/18/11/16/727181116.db2.gz GRZWXKHINZMNTK-UHFFFAOYSA-N 0 1 358.804 3.324 20 10 FGCDMN CCOC(=O)CN(Cc1ccccc1O)Cc1cc(Cl)cc(F)c1O ZINC000822511914 729186749 /nfs/dbraw/zinc/18/67/49/729186749.db2.gz OCDVILQWUJNRAM-UHFFFAOYSA-N 0 1 367.804 3.456 20 10 FGCDMN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650381 729352872 /nfs/dbraw/zinc/35/28/72/729352872.db2.gz ONSNOZLHECVHJB-AWEZNQCLSA-N 0 1 369.303 3.283 20 10 FGCDMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650381 729352873 /nfs/dbraw/zinc/35/28/73/729352873.db2.gz ONSNOZLHECVHJB-AWEZNQCLSA-N 0 1 369.303 3.283 20 10 FGCDMN Cc1nsc(N2CCCN(Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000824883151 729363623 /nfs/dbraw/zinc/36/36/23/729363623.db2.gz GOWWPTRXMMJKHW-UHFFFAOYSA-N 0 1 352.891 3.226 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305101 729377781 /nfs/dbraw/zinc/37/77/81/729377781.db2.gz CXNIACVFMYORLU-UHFFFAOYSA-N 0 1 368.836 3.112 20 10 FGCDMN Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825650989 729390336 /nfs/dbraw/zinc/39/03/36/729390336.db2.gz BSOXBHHMUCLKKT-MRXNPFEDSA-N 0 1 350.256 3.156 20 10 FGCDMN Cc1cc(CN2CCCC[C@@H](S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829290499 729472192 /nfs/dbraw/zinc/47/21/92/729472192.db2.gz BAYAHURJBLSUBA-LJQANCHMSA-N 0 1 364.555 3.384 20 10 FGCDMN CCS(=O)(=O)c1ccc(CNC/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835051773 729853275 /nfs/dbraw/zinc/85/32/75/729853275.db2.gz IJUCOZNQYSUBND-WAYWQWQTSA-N 0 1 364.536 3.411 20 10 FGCDMN C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000835078175 729856982 /nfs/dbraw/zinc/85/69/82/729856982.db2.gz MYHLXUULMXGLMN-UHFFFAOYSA-N 0 1 359.264 3.111 20 10 FGCDMN C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000835078175 729856983 /nfs/dbraw/zinc/85/69/83/729856983.db2.gz MYHLXUULMXGLMN-UHFFFAOYSA-N 0 1 359.264 3.111 20 10 FGCDMN O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000840974254 730199559 /nfs/dbraw/zinc/19/95/59/730199559.db2.gz CSNJULXCAVMAFR-AWEZNQCLSA-N 0 1 367.287 3.132 20 10 FGCDMN CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841746229 730270162 /nfs/dbraw/zinc/27/01/62/730270162.db2.gz WKLDQVADLOEHSQ-CYBMUJFWSA-N 0 1 362.857 3.411 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1[O-] ZINC000841757655 730271358 /nfs/dbraw/zinc/27/13/58/730271358.db2.gz OGXFGKJRAOECGV-TZMCWYRMSA-N 0 1 370.877 3.332 20 10 FGCDMN COC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846110044 730929700 /nfs/dbraw/zinc/92/97/00/730929700.db2.gz WJRIINLKDOOSSG-RSAASHCRSA-N 0 1 359.825 3.021 20 10 FGCDMN COc1cc(Br)cc([C@H](C)NCc2cccnc2OC)c1O ZINC000848517033 731174065 /nfs/dbraw/zinc/17/40/65/731174065.db2.gz ACBKKEMZSHOQRB-JTQLQIEISA-N 0 1 367.243 3.418 20 10 FGCDMN COc1cc(Br)cc([C@@H](C)NCc2cc(C)ncn2)c1O ZINC000848535669 731177532 /nfs/dbraw/zinc/17/75/32/731177532.db2.gz FRMYSMSXODICKY-SNVBAGLBSA-N 0 1 352.232 3.113 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000848563583 731182207 /nfs/dbraw/zinc/18/22/07/731182207.db2.gz VJXDBGGNGGARMG-DGCLKSJQSA-N 0 1 354.376 3.138 20 10 FGCDMN O=C(N1CCN(Cc2ccccc2O)CC12CCCCC2)C(F)(F)F ZINC000848929304 731222063 /nfs/dbraw/zinc/22/20/63/731222063.db2.gz VOJCPMFRBNRHCF-UHFFFAOYSA-N 0 1 356.388 3.302 20 10 FGCDMN O=C(CC[NH2+]Cc1c([O-])cccc1Br)NC1CCCCC1 ZINC000858104164 732180840 /nfs/dbraw/zinc/18/08/40/732180840.db2.gz ALRMTRKOKVXESC-UHFFFAOYSA-N 0 1 355.276 3.083 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000858151157 732186480 /nfs/dbraw/zinc/18/64/80/732186480.db2.gz WAPZPUSFEVMZJI-ABAIWWIYSA-N 0 1 358.301 3.299 20 10 FGCDMN Cn1ncc(C2CCC2)c1C[NH2+]Cc1c([O-])cccc1Br ZINC000858192207 732191052 /nfs/dbraw/zinc/19/10/52/732191052.db2.gz GTGWNZUKYWPXCW-UHFFFAOYSA-N 0 1 350.260 3.446 20 10 FGCDMN Cn1ncc(C2CCC2)c1CNCc1c(O)cccc1Br ZINC000858192207 732191053 /nfs/dbraw/zinc/19/10/53/732191053.db2.gz GTGWNZUKYWPXCW-UHFFFAOYSA-N 0 1 350.260 3.446 20 10 FGCDMN Cc1noc(C2CC[NH+](Cc3c([O-])cccc3Br)CC2)n1 ZINC000862227031 732790087 /nfs/dbraw/zinc/79/00/87/732790087.db2.gz HYZMZKRIUPYDKX-UHFFFAOYSA-N 0 1 352.232 3.226 20 10 FGCDMN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237907 732793979 /nfs/dbraw/zinc/79/39/79/732793979.db2.gz YPMZJHNFYJDYEI-ZDUSSCGKSA-N 0 1 369.303 3.283 20 10 FGCDMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237907 732793983 /nfs/dbraw/zinc/79/39/83/732793983.db2.gz YPMZJHNFYJDYEI-ZDUSSCGKSA-N 0 1 369.303 3.283 20 10 FGCDMN CSc1cccc(-n2c(C)cc(C(=O)Cn3ccnc3CN)c2C)c1 ZINC000864619390 733082754 /nfs/dbraw/zinc/08/27/54/733082754.db2.gz MAEVXWHSAWODCK-UHFFFAOYSA-N 0 1 354.479 3.354 20 10 FGCDMN COc1ncc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000876946960 736166490 /nfs/dbraw/zinc/16/64/90/736166490.db2.gz YFIAHXYETYCPKN-STQMWFEESA-N 0 1 365.474 3.194 20 10 FGCDMN COc1nsc(CN[C@H](C)c2cc(OC)ccc2O)c1Br ZINC000877533512 736679886 /nfs/dbraw/zinc/67/98/86/736679886.db2.gz PLYPWBZAZSWBGX-MRVPVSSYSA-N 0 1 373.272 3.479 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Br)ccc1[O-] ZINC000883276601 737545146 /nfs/dbraw/zinc/54/51/46/737545146.db2.gz NCZNIWVAOLFRLT-YPMHNXCESA-N 0 1 354.244 3.250 20 10 FGCDMN C[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccsc1 ZINC000883679165 737592325 /nfs/dbraw/zinc/59/23/25/737592325.db2.gz BIJIVGSJUCHVSY-HNNXBMFYSA-N 0 1 358.511 3.060 20 10 FGCDMN Cc1nnc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)[nH]1 ZINC000895013258 742363578 /nfs/dbraw/zinc/36/35/78/742363578.db2.gz ZSPCYBKUFJNETE-VIFPVBQESA-N 0 1 371.666 3.224 20 10 FGCDMN Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC000895013258 742363584 /nfs/dbraw/zinc/36/35/84/742363584.db2.gz ZSPCYBKUFJNETE-VIFPVBQESA-N 0 1 371.666 3.224 20 10 FGCDMN Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC000895013258 742363590 /nfs/dbraw/zinc/36/35/90/742363590.db2.gz ZSPCYBKUFJNETE-VIFPVBQESA-N 0 1 371.666 3.224 20 10 FGCDMN Cc1nc([C@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n[nH]1 ZINC000895013258 742363598 /nfs/dbraw/zinc/36/35/98/742363598.db2.gz ZSPCYBKUFJNETE-VIFPVBQESA-N 0 1 371.666 3.224 20 10 FGCDMN Cc1nc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n[nH]1 ZINC000895013258 742363604 /nfs/dbraw/zinc/36/36/04/742363604.db2.gz ZSPCYBKUFJNETE-VIFPVBQESA-N 0 1 371.666 3.224 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1[O-] ZINC000903433824 743850337 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O=C(CC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000129958080 495320204 /nfs/dbraw/zinc/32/02/04/495320204.db2.gz SWNKHZKLYFVMDQ-GFCCVEGCSA-N 0 1 350.768 3.079 20 10 FGCDMN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])CN1CCN(C)CC1 ZINC000185344550 495539793 /nfs/dbraw/zinc/53/97/93/495539793.db2.gz QQASHFSVYRCMAL-OLZOCXBDSA-N 0 1 360.329 3.233 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1[O-] ZINC000183146393 495853809 /nfs/dbraw/zinc/85/38/09/495853809.db2.gz FRZIDMIDQGEBOX-MZNJEOGPSA-N 0 1 365.882 3.458 20 10 FGCDMN COCc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000174912048 496161886 /nfs/dbraw/zinc/16/18/86/496161886.db2.gz AGMAYPVFJXDFLX-WJDWOHSUSA-N 0 1 362.520 3.128 20 10 FGCDMN CC[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Br)ccc1[O-] ZINC000185206215 496702873 /nfs/dbraw/zinc/70/28/73/496702873.db2.gz WJOTURGEYVWIMQ-AWEZNQCLSA-N 0 1 355.276 3.208 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000185263105 496720505 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FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000289199454 498055814 /nfs/dbraw/zinc/05/58/14/498055814.db2.gz BFQSSPZQJBZLKH-ZDUSSCGKSA-N 0 1 368.739 3.233 20 10 FGCDMN CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000281267277 498081366 /nfs/dbraw/zinc/08/13/66/498081366.db2.gz WUGMPPMGQDYTPI-DGCLKSJQSA-N 0 1 355.276 3.064 20 10 FGCDMN COCC1(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CCOCC1 ZINC000293315208 498342624 /nfs/dbraw/zinc/34/26/24/498342624.db2.gz FGTXDUVGDOYKAA-GFCCVEGCSA-N 0 1 358.276 3.249 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000293627628 498433105 /nfs/dbraw/zinc/43/31/05/498433105.db2.gz LCYNUXJHGJSNBC-MRXNPFEDSA-N 0 1 352.818 3.345 20 10 FGCDMN Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)no1 ZINC000362385732 498507417 /nfs/dbraw/zinc/50/74/17/498507417.db2.gz GFUIJURFXXTAAX-JTQLQIEISA-N 0 1 352.778 3.025 20 10 FGCDMN O=C(c1cccc(O)c1O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 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359.429 3.134 20 10 FGCDMN CCCOc1ccc(CN[C@@H]2CCCc3cn(CCOC)nc32)c(O)c1 ZINC000368084052 499262367 /nfs/dbraw/zinc/26/23/67/499262367.db2.gz CESAFWFWEQATNA-GOSISDBHSA-N 0 1 359.470 3.191 20 10 FGCDMN Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C2 ZINC000368314604 499284655 /nfs/dbraw/zinc/28/46/55/499284655.db2.gz FEPCLGYGOMNXST-AAEUAGOBSA-N 0 1 350.260 3.325 20 10 FGCDMN Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C2 ZINC000368314607 499284723 /nfs/dbraw/zinc/28/47/23/499284723.db2.gz FEPCLGYGOMNXST-YPMHNXCESA-N 0 1 350.260 3.325 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](n3ccnc3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000373207991 499457525 /nfs/dbraw/zinc/45/75/25/499457525.db2.gz FXKWPBMHNLUEBY-HNNXBMFYSA-N 0 1 374.441 3.466 20 10 FGCDMN CC[C@@H](c1ccccc1O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000377668953 499717557 /nfs/dbraw/zinc/71/75/57/499717557.db2.gz GIWNCNRWACICMP-DLBZAZTESA-N 0 1 365.433 3.028 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000435614509 501002702 /nfs/dbraw/zinc/00/27/02/501002702.db2.gz FDTCPSBJENHOTJ-DLBZAZTESA-N 0 1 369.509 3.044 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccc[nH]2)C1 ZINC000435819292 501033261 /nfs/dbraw/zinc/03/32/61/501033261.db2.gz WLJRMUPLCFETOI-UHFFFAOYSA-N 0 1 364.493 3.395 20 10 FGCDMN CO[C@@H](CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(C)C ZINC000435821086 501034211 /nfs/dbraw/zinc/03/42/11/501034211.db2.gz ZWYAOKOPOIZQKC-NRFANRHFSA-N 0 1 371.525 3.195 20 10 FGCDMN CS[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435905768 501044789 /nfs/dbraw/zinc/04/47/89/501044789.db2.gz GQNBROAXWZIVDW-OAHLLOKOSA-N 0 1 359.539 3.276 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(Br)cc1[O-] ZINC000528016358 504041576 /nfs/dbraw/zinc/04/15/76/504041576.db2.gz SHZFNSZJODSBQP-GFCCVEGCSA-N 0 1 369.303 3.454 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccncc2F)C1 ZINC000562437640 504820798 /nfs/dbraw/zinc/82/07/98/504820798.db2.gz ZRXNDNDGSNCQAJ-UHFFFAOYSA-N 0 1 366.440 3.003 20 10 FGCDMN CCN(CC)Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000608250348 506475022 /nfs/dbraw/zinc/47/50/22/506475022.db2.gz KZAYSPQKTUNANX-UHFFFAOYSA-N 0 1 357.454 3.227 20 10 FGCDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737135367 600375210 /nfs/dbraw/zinc/37/52/10/600375210.db2.gz XEKXFGJFTOLRNA-CQSZACIVSA-N 0 1 357.406 3.019 20 10 FGCDMN O=C([O-])CC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CCOCC1 ZINC000833233371 600720074 /nfs/dbraw/zinc/72/00/74/600720074.db2.gz UVAZTHKFFPCVHK-UHFFFAOYSA-N 0 1 373.449 3.473 20 10 FGCDMN COc1ccc(N2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3F)CC2)cc1 ZINC000832383735 600990390 /nfs/dbraw/zinc/99/03/90/600990390.db2.gz LRELAENVOQRUHF-IBGZPJMESA-N 0 1 358.413 3.172 20 10 FGCDMN COc1ccc2ccc(O)c(C[N@@H+](CCC(=O)[O-])Cc3ccncc3)c2c1 ZINC000832504894 601559710 /nfs/dbraw/zinc/55/97/10/601559710.db2.gz YMVRHCLBAJTLSY-UHFFFAOYSA-N 0 1 366.417 3.426 20 10 FGCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616898 609332011 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CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706855693 722412152 /nfs/dbraw/zinc/41/21/52/722412152.db2.gz LUVDDVDCSCHTGT-NSHDSACASA-N 0 1 371.275 3.254 20 10 FGCDMN C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075934 722412585 /nfs/dbraw/zinc/41/25/85/722412585.db2.gz QQGKWPHKGIXASF-CVJBHZAOSA-N 0 1 354.697 3.007 20 10 FGCDMN CCCCSCC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730193778 722465974 /nfs/dbraw/zinc/46/59/74/722465974.db2.gz ABAJJRGBTUXDGC-UHFFFAOYSA-N 0 1 367.534 3.117 20 10 FGCDMN CN(C)c1ccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)cc1F ZINC000733327326 722495705 /nfs/dbraw/zinc/49/57/05/722495705.db2.gz SIZQLOBPZSZBGK-KRWDZBQOSA-N 0 1 356.363 3.431 20 10 FGCDMN CCN(CC(=O)N1CCC[C@H](C)C1)Cc1cc(Br)ccc1O ZINC000743873027 722572228 /nfs/dbraw/zinc/57/22/28/722572228.db2.gz GOQLYLUDBMHTCM-ZDUSSCGKSA-N 0 1 369.303 3.235 20 10 FGCDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCCSc2nccs2)n[nH]1 ZINC000753587476 722905687 /nfs/dbraw/zinc/90/56/87/722905687.db2.gz IQVHDJFWFMKCMZ-MNOVXSKESA-N 0 1 368.532 3.317 20 10 FGCDMN C[C@H]([NH2+]CCc1nnc2ccccn21)c1cc(Br)ccc1[O-] ZINC000756364003 722963408 /nfs/dbraw/zinc/96/34/08/722963408.db2.gz RDQPLTDFNVQZIK-NSHDSACASA-N 0 1 361.243 3.091 20 10 FGCDMN C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000756569498 722966982 /nfs/dbraw/zinc/96/69/82/722966982.db2.gz PKDBGAONXLAWKA-VIFPVBQESA-N 0 1 355.198 3.299 20 10 FGCDMN C[C@@H]([NH2+]CCOc1ncccc1F)c1cc(Br)ccc1[O-] ZINC000756761496 722969706 /nfs/dbraw/zinc/96/97/06/722969706.db2.gz QANYZQIADIYXSK-SNVBAGLBSA-N 0 1 355.207 3.418 20 10 FGCDMN Cc1cc(C(=O)Nc2c[nH]nn2)c(C)n1-c1cccc(Br)c1 ZINC000789929521 723085943 /nfs/dbraw/zinc/08/59/43/723085943.db2.gz ZIVSNKBAFPZLHG-UHFFFAOYSA-N 0 1 360.215 3.227 20 10 FGCDMN COC(=O)[C@H](C)C[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000761217711 723134315 /nfs/dbraw/zinc/13/43/15/723134315.db2.gz XWPFSMQMAULDEW-LLVKDONJSA-N 0 1 356.260 3.237 20 10 FGCDMN COC1(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000790788170 723177785 /nfs/dbraw/zinc/17/77/85/723177785.db2.gz UAAQHDDQGQHHHL-INIZCTEOSA-N 0 1 366.889 3.085 20 10 FGCDMN CCOC(=O)[C@H](CCOC(C)(C)C)NCc1c(O)ccc(Cl)c1F ZINC000792179077 723318423 /nfs/dbraw/zinc/31/84/23/723318423.db2.gz FVAWNTXXJNHETI-ZDUSSCGKSA-N 0 1 361.841 3.411 20 10 FGCDMN CCOC(=O)[C@@H](CCOC(C)(C)C)NCc1c(O)ccc(Cl)c1F ZINC000792179076 723318564 /nfs/dbraw/zinc/31/85/64/723318564.db2.gz FVAWNTXXJNHETI-CYBMUJFWSA-N 0 1 361.841 3.411 20 10 FGCDMN CC(C)[C@H](C(=O)NCc1cccc(Br)c1[O-])[NH+]1CCCCC1 ZINC000765732073 723535804 /nfs/dbraw/zinc/53/58/04/723535804.db2.gz PAGOZLBYFSBQOM-OAHLLOKOSA-N 0 1 369.303 3.281 20 10 FGCDMN C[C@H](C(=O)NCc1cccc(Br)c1[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000765733196 723536355 /nfs/dbraw/zinc/53/63/55/723536355.db2.gz VGICGQTXXABITI-GRYCIOLGSA-N 0 1 355.276 3.032 20 10 FGCDMN C[C@H](C(=O)NCc1cccc(Br)c1[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000765733196 723536358 /nfs/dbraw/zinc/53/63/58/723536358.db2.gz VGICGQTXXABITI-GRYCIOLGSA-N 0 1 355.276 3.032 20 10 FGCDMN O=C(CCCC[NH+]1CCCC1)NCc1cccc(Br)c1[O-] ZINC000765750511 723537972 /nfs/dbraw/zinc/53/79/72/723537972.db2.gz HNTRMDYCHLTVFW-UHFFFAOYSA-N 0 1 355.276 3.037 20 10 FGCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000794829938 723548146 /nfs/dbraw/zinc/54/81/46/723548146.db2.gz UQVHGTRBBTZMTC-BDJLRTHQSA-N 0 1 363.255 3.340 20 10 FGCDMN COc1cccc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000769389650 723683936 /nfs/dbraw/zinc/68/39/36/723683936.db2.gz SFEJLMUPZJICPG-OKILXGFUSA-N 0 1 350.459 3.231 20 10 FGCDMN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000769401246 723684539 /nfs/dbraw/zinc/68/45/39/723684539.db2.gz DRLOIEMCIQFOKM-NSHDSACASA-N 0 1 373.291 3.500 20 10 FGCDMN C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000769401246 723684540 /nfs/dbraw/zinc/68/45/40/723684540.db2.gz DRLOIEMCIQFOKM-NSHDSACASA-N 0 1 373.291 3.500 20 10 FGCDMN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000769401246 723684541 /nfs/dbraw/zinc/68/45/41/723684541.db2.gz DRLOIEMCIQFOKM-NSHDSACASA-N 0 1 373.291 3.500 20 10 FGCDMN C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000773625052 723806866 /nfs/dbraw/zinc/80/68/66/723806866.db2.gz PBPVHJMJQQHVRW-WMLDXEAASA-N 0 1 360.527 3.477 20 10 FGCDMN COc1c([O-])c(C[NH2+]C(C)(C)c2nc(C)c(C)s2)ccc1[N+](=O)[O-] ZINC000775015835 723952377 /nfs/dbraw/zinc/95/23/77/723952377.db2.gz YEXDPVFCPNNXRR-UHFFFAOYSA-N 0 1 351.428 3.407 20 10 FGCDMN Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000775190517 723970132 /nfs/dbraw/zinc/97/01/32/723970132.db2.gz ZUTXCLRRCDEWBU-CYBMUJFWSA-N 0 1 350.260 3.268 20 10 FGCDMN CC[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775500390 723996508 /nfs/dbraw/zinc/99/65/08/723996508.db2.gz JEDLBPFJMXZRFQ-IRXDYDNUSA-N 0 1 367.921 3.029 20 10 FGCDMN CC[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)ccc1[O-] ZINC000775531529 723998510 /nfs/dbraw/zinc/99/85/10/723998510.db2.gz DULKGZAGBMGTSG-CQSZACIVSA-N 0 1 365.275 3.252 20 10 FGCDMN COc1ccc(O)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1 ZINC000775676840 724022035 /nfs/dbraw/zinc/02/20/35/724022035.db2.gz MKINQKRWULRGLR-UHFFFAOYSA-N 0 1 351.424 3.339 20 10 FGCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000775676925 724022270 /nfs/dbraw/zinc/02/22/70/724022270.db2.gz BINFPBLUEYWQHR-JTQLQIEISA-N 0 1 365.065 3.138 20 10 FGCDMN COc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)c(OC)c1OC ZINC000776173699 724115703 /nfs/dbraw/zinc/11/57/03/724115703.db2.gz GMCPGRXDLQKIEI-UHFFFAOYSA-N 0 1 351.830 3.404 20 10 FGCDMN COc1cc(C)cc(CN(CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000800851861 724237851 /nfs/dbraw/zinc/23/78/51/724237851.db2.gz WYWNDRJRERMEPX-UHFFFAOYSA-N 0 1 362.495 3.217 20 10 FGCDMN CCCCN(Cc1ccc(S(=O)(=O)N(C)C)o1)Cc1ccccc1O ZINC000801596589 724318017 /nfs/dbraw/zinc/31/80/17/724318017.db2.gz GWZOFLDSXDQNFP-UHFFFAOYSA-N 0 1 366.483 3.038 20 10 FGCDMN Cc1cc(Br)cc([C@@H](C)N[C@H](C(N)=O)c2ccccc2)c1O ZINC000779002930 724380184 /nfs/dbraw/zinc/38/01/84/724380184.db2.gz KBXDBMHVOQHUAZ-ABAIWWIYSA-N 0 1 363.255 3.340 20 10 FGCDMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000786713832 724997377 /nfs/dbraw/zinc/99/73/77/724997377.db2.gz MMNDSBZMUJYLLG-LLVKDONJSA-N 0 1 371.842 3.260 20 10 FGCDMN COC(=O)[C@H]1[C@@H](CN(Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC000787770575 725038050 /nfs/dbraw/zinc/03/80/50/725038050.db2.gz UEGJEBPRQHVDNC-GDBMZVCRSA-N 0 1 351.349 3.042 20 10 FGCDMN CO[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000805112028 725050436 /nfs/dbraw/zinc/05/04/36/725050436.db2.gz FOQXHGSGQHRRBQ-SECBINFHSA-N 0 1 361.147 3.076 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000805204409 725056402 /nfs/dbraw/zinc/05/64/02/725056402.db2.gz SSHSPUOHVMBJML-YUTCNCBUSA-N 0 1 359.253 3.456 20 10 FGCDMN Cc1cc(C)c(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c(=O)[nH]1 ZINC000806341743 725125091 /nfs/dbraw/zinc/12/50/91/725125091.db2.gz SYRFZMZCXOJYQU-UHFFFAOYSA-N 0 1 370.236 3.416 20 10 FGCDMN CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807548892 725163084 /nfs/dbraw/zinc/16/30/84/725163084.db2.gz HABXBHAYUXXRFC-ZDUSSCGKSA-N 0 1 360.285 3.373 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2oc(=O)[nH]c2c1 ZINC000807838512 725171805 /nfs/dbraw/zinc/17/18/05/725171805.db2.gz VMBRVYTZZKXFRV-UHFFFAOYSA-N 0 1 353.161 3.476 20 10 FGCDMN Cc1nc(C)c(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)c(=O)[nH]1 ZINC000807838004 725171826 /nfs/dbraw/zinc/17/18/26/725171826.db2.gz HGMXZXDGFONFIG-UHFFFAOYSA-N 0 1 370.236 3.060 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000807838593 725172020 /nfs/dbraw/zinc/17/20/20/725172020.db2.gz YOJOBWFNAMLLFX-UHFFFAOYSA-N 0 1 352.177 3.211 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000807839861 725172202 /nfs/dbraw/zinc/17/22/02/725172202.db2.gz SEWNSSOWGOQKPE-NSHDSACASA-N 0 1 371.264 3.106 20 10 FGCDMN O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000809689973 725259018 /nfs/dbraw/zinc/25/90/18/725259018.db2.gz GKWYJIPTKWCZQU-LLVKDONJSA-N 0 1 364.795 3.326 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000809756624 725265635 /nfs/dbraw/zinc/26/56/35/725265635.db2.gz GZXSIVGZFQHALQ-LBPRGKRZSA-N 0 1 350.260 3.186 20 10 FGCDMN CCN(CC)CCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000810048839 725284694 /nfs/dbraw/zinc/28/46/94/725284694.db2.gz FYYYGMAIYJNBKH-UHFFFAOYSA-N 0 1 368.543 3.199 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219443 725297564 /nfs/dbraw/zinc/29/75/64/725297564.db2.gz RUZYWZXWRLRHAW-CJNGLKHVSA-N 0 1 360.420 3.420 20 10 FGCDMN CC[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228408 725298299 /nfs/dbraw/zinc/29/82/99/725298299.db2.gz UBHMLZWKGVCGDC-AWEZNQCLSA-N 0 1 365.417 3.277 20 10 FGCDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682920 726904867 /nfs/dbraw/zinc/90/48/67/726904867.db2.gz NMUXNVRDNKEJON-UHFFFAOYSA-N 0 1 356.165 3.119 20 10 FGCDMN C[C@](O)(Cc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683929 726904950 /nfs/dbraw/zinc/90/49/50/726904950.db2.gz HTXJUJPUKSSJMR-KRWDZBQOSA-N 0 1 354.233 3.309 20 10 FGCDMN CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000815119244 727040669 /nfs/dbraw/zinc/04/06/69/727040669.db2.gz RIBIDAPAAIEGFQ-HNNXBMFYSA-N 0 1 357.420 3.033 20 10 FGCDMN CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000815119244 727040673 /nfs/dbraw/zinc/04/06/73/727040673.db2.gz RIBIDAPAAIEGFQ-HNNXBMFYSA-N 0 1 357.420 3.033 20 10 FGCDMN Cc1nsc(N2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000816516251 727170551 /nfs/dbraw/zinc/17/05/51/727170551.db2.gz YYKZVJPSPXUPIG-UHFFFAOYSA-N 0 1 356.854 3.057 20 10 FGCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816522036 727171427 /nfs/dbraw/zinc/17/14/27/727171427.db2.gz HUQASZSEDWQBQG-BBRMVZONSA-N 0 1 353.825 3.006 20 10 FGCDMN C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(Cl)c(F)cc3[O-])nc2)C1 ZINC000816558664 727175858 /nfs/dbraw/zinc/17/58/58/727175858.db2.gz IOUAZBBAILLDKR-AWEZNQCLSA-N 0 1 364.852 3.332 20 10 FGCDMN Oc1ccc(Cl)c(F)c1CN1CCc2c(nnn2-c2ccccc2)C1 ZINC000816618538 727181221 /nfs/dbraw/zinc/18/12/21/727181221.db2.gz ZZQXGUOORRYXBT-UHFFFAOYSA-N 0 1 358.804 3.324 20 10 FGCDMN Oc1cc(F)c(Cl)cc1CN1CCc2c(nnn2-c2ccccc2)C1 ZINC000816617639 727181311 /nfs/dbraw/zinc/18/13/11/727181311.db2.gz FEGFEUJZUZHRLL-UHFFFAOYSA-N 0 1 358.804 3.324 20 10 FGCDMN CCCN(Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccccc1O ZINC000822654843 729205706 /nfs/dbraw/zinc/20/57/06/729205706.db2.gz RHIMDNPBGUXAAS-UHFFFAOYSA-N 0 1 368.524 3.116 20 10 FGCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)[nH]n1 ZINC000822899184 729230068 /nfs/dbraw/zinc/23/00/68/729230068.db2.gz ZAWFLIABJAUSNN-UHFFFAOYSA-N 0 1 365.275 3.289 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824565415 729347905 /nfs/dbraw/zinc/34/79/05/729347905.db2.gz UISVHVXZKQRTPG-GDBMZVCRSA-N 0 1 360.420 3.299 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1Cl ZINC000825190283 729374111 /nfs/dbraw/zinc/37/41/11/729374111.db2.gz HVRXCTUTVSSHJX-UHFFFAOYSA-N 0 1 353.871 3.188 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000825274554 729376565 /nfs/dbraw/zinc/37/65/65/729376565.db2.gz VWRSSMOEUPIYCL-UHFFFAOYSA-N 0 1 364.239 3.490 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cccnc1OCC(F)F ZINC000825391597 729381508 /nfs/dbraw/zinc/38/15/08/729381508.db2.gz YNVDIKVGWINDKD-UHFFFAOYSA-N 0 1 373.197 3.483 20 10 FGCDMN Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825715535 729392579 /nfs/dbraw/zinc/39/25/79/729392579.db2.gz ACFYXBHVDFTGJW-CYBMUJFWSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825715535 729392581 /nfs/dbraw/zinc/39/25/81/729392581.db2.gz ACFYXBHVDFTGJW-CYBMUJFWSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000825893174 729398780 /nfs/dbraw/zinc/39/87/80/729398780.db2.gz QYOMXRHAPSWFME-UHFFFAOYSA-N 0 1 364.165 3.197 20 10 FGCDMN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(Cl)ccc2O)C1 ZINC000826889245 729417984 /nfs/dbraw/zinc/41/79/84/729417984.db2.gz SLYSPPSLSXEKTF-MNOVXSKESA-N 0 1 351.752 3.219 20 10 FGCDMN C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000827733703 729433892 /nfs/dbraw/zinc/43/38/92/729433892.db2.gz LZGYHVSUMFOHER-SJKOYZFVSA-N 0 1 350.256 3.409 20 10 FGCDMN COC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000827873440 729436313 /nfs/dbraw/zinc/43/63/13/729436313.db2.gz UYSOBACEVILYBC-OAHLLOKOSA-N 0 1 361.873 3.294 20 10 FGCDMN CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000828014243 729438448 /nfs/dbraw/zinc/43/84/48/729438448.db2.gz YHPSXVWLIHJVOL-UHFFFAOYSA-N 0 1 350.260 3.462 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(Br)ccc1[O-] ZINC000834849779 729839009 /nfs/dbraw/zinc/83/90/09/729839009.db2.gz FLCJBMVEFVIZBR-GDBMZVCRSA-N 0 1 371.319 3.042 20 10 FGCDMN Cc1nsc(N2CCCN(C/C=C\c3ccc(N(C)C)cc3)CC2)n1 ZINC000835028019 729850956 /nfs/dbraw/zinc/85/09/56/729850956.db2.gz IFEAXJXFJMUJTP-XQRVVYSFSA-N 0 1 357.527 3.138 20 10 FGCDMN COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840873999 730186427 /nfs/dbraw/zinc/18/64/27/730186427.db2.gz FNAKNVLTXVRWAU-KRWDZBQOSA-N 0 1 351.830 3.194 20 10 FGCDMN C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752703 730270810 /nfs/dbraw/zinc/27/08/10/730270810.db2.gz VFSFEGOARXOUJH-CHWSQXEVSA-N 0 1 357.841 3.495 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(Cl)cc1[O-] ZINC000841756389 730270916 /nfs/dbraw/zinc/27/09/16/730270916.db2.gz XMNIGZBITPAHJD-GFCCVEGCSA-N 0 1 353.871 3.441 20 10 FGCDMN C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(Cl)cc1[O-] ZINC000841757662 730271203 /nfs/dbraw/zinc/27/12/03/730271203.db2.gz OKCHJBFFEFDTIG-SNVBAGLBSA-N 0 1 371.662 3.321 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(Br)cc1[O-] ZINC000842887120 730553958 /nfs/dbraw/zinc/55/39/58/730553958.db2.gz WONUZRPUKMJYAH-GXFFZTMASA-N 0 1 355.276 3.205 20 10 FGCDMN CN(C)c1ccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)c(C(F)(F)F)c1 ZINC000843416675 730617779 /nfs/dbraw/zinc/61/77/79/730617779.db2.gz WHXLROHBQCRIRM-OAHLLOKOSA-N 0 1 357.420 3.260 20 10 FGCDMN COc1ccc(N(C)CCN(C)Cc2cccc(Br)n2)cc1 ZINC000844401869 730713516 /nfs/dbraw/zinc/71/35/16/730713516.db2.gz OLUSKVMUXXNAAX-UHFFFAOYSA-N 0 1 364.287 3.421 20 10 FGCDMN CCn1ccnc1CN[C@H](C)c1cc(Br)cc(OC)c1O ZINC000848554655 731180781 /nfs/dbraw/zinc/18/07/81/731180781.db2.gz YSYCHOZUUYTNIU-SNVBAGLBSA-N 0 1 354.248 3.231 20 10 FGCDMN COc1cc(Br)cc([C@@H](C)NCc2ncccc2OC)c1O ZINC000848553525 731180854 /nfs/dbraw/zinc/18/08/54/731180854.db2.gz USUKWJPXOXGKOR-SNVBAGLBSA-N 0 1 367.243 3.418 20 10 FGCDMN C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000850411697 731353729 /nfs/dbraw/zinc/35/37/29/731353729.db2.gz ILTRXCOIOYGWIB-SJCJKPOMSA-N 0 1 350.256 3.409 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000850560250 731373712 /nfs/dbraw/zinc/37/37/12/731373712.db2.gz CKMHMORMGZQWIX-PXAZEXFGSA-N 0 1 372.303 3.373 20 10 FGCDMN C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC000858138749 732184936 /nfs/dbraw/zinc/18/49/36/732184936.db2.gz JTKPLSJYCJDDNQ-LRDDRELGSA-N 0 1 350.256 3.409 20 10 FGCDMN CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000858505544 732221601 /nfs/dbraw/zinc/22/16/01/732221601.db2.gz MBRACTICESXPDZ-MFKMUULPSA-N 0 1 354.244 3.457 20 10 FGCDMN CCOC(=O)N(C)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862238916 732794184 /nfs/dbraw/zinc/79/41/84/732794184.db2.gz OUYHDTVJATYIHS-UHFFFAOYSA-N 0 1 371.275 3.207 20 10 FGCDMN C[C@@H]1C[C@]2(CCO1)CN(Cc1c(O)cccc1Br)C[C@H](C)O2 ZINC000862353320 732814185 /nfs/dbraw/zinc/81/41/85/732814185.db2.gz KNVZJZIELZMHFK-IIYDPXPESA-N 0 1 370.287 3.313 20 10 FGCDMN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862365926 732817501 /nfs/dbraw/zinc/81/75/01/732817501.db2.gz HPZZGHSVZCHHNH-LBPRGKRZSA-N 0 1 355.276 3.035 20 10 FGCDMN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000862365926 732817504 /nfs/dbraw/zinc/81/75/04/732817504.db2.gz HPZZGHSVZCHHNH-LBPRGKRZSA-N 0 1 355.276 3.035 20 10 FGCDMN COc1cc(Br)cc(CN[C@H](C)c2nccnc2C)c1O ZINC000873189871 735735201 /nfs/dbraw/zinc/73/52/01/735735201.db2.gz SIACYVBIMNKWPO-SNVBAGLBSA-N 0 1 352.232 3.113 20 10 FGCDMN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Br)cc(F)c3O)[C@@H]2C1 ZINC000894095345 742238168 /nfs/dbraw/zinc/23/81/68/742238168.db2.gz PQJKMLWAOPKJOG-BPLDGKMQSA-N 0 1 374.250 3.062 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896378852 742541891 /nfs/dbraw/zinc/54/18/91/742541891.db2.gz VCXKJWQPTZBQER-SECBINFHSA-N 0 1 362.651 3.003 20 10 FGCDMN Fc1cc(CN[C@H]2CCc3c2nccc3Cl)ccc1N1CCOCC1 ZINC000924713493 759376061 /nfs/dbraw/zinc/37/60/61/759376061.db2.gz DLQSMJOABHYICC-KRWDZBQOSA-N 0 1 361.848 3.488 20 10 FGCDMN OC1CCN(c2ccc(CN[C@@H]3CCc4c3nccc4Cl)cc2)CC1 ZINC000926726127 759810657 /nfs/dbraw/zinc/81/06/57/759810657.db2.gz XMXYSVNACHUDLO-LJQANCHMSA-N 0 1 357.885 3.473 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000927156774 759909427 /nfs/dbraw/zinc/90/94/27/759909427.db2.gz QIJAXAJFMJUYTP-IMJJTQAJSA-N 0 1 359.388 3.382 20 10 FGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186501108 496022256 /nfs/dbraw/zinc/02/22/56/496022256.db2.gz VHLYSKDBCHWJEN-UHFFFAOYSA-N 0 1 358.301 3.253 20 10 FGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186501108 496022258 /nfs/dbraw/zinc/02/22/58/496022258.db2.gz VHLYSKDBCHWJEN-UHFFFAOYSA-N 0 1 358.301 3.253 20 10 FGCDMN C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000187915988 496618314 /nfs/dbraw/zinc/61/83/14/496618314.db2.gz DSRYQXSQGOQFSK-JTQLQIEISA-N 0 1 368.405 3.166 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000273435069 496804738 /nfs/dbraw/zinc/80/47/38/496804738.db2.gz WSHIMCBDDSMIAB-LBPRGKRZSA-N 0 1 353.871 3.441 20 10 FGCDMN COCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1 ZINC000277687279 496853605 /nfs/dbraw/zinc/85/36/05/496853605.db2.gz PHTOGWOIKHEHKD-UHFFFAOYSA-N 0 1 365.451 3.169 20 10 FGCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264949743 497017766 /nfs/dbraw/zinc/01/77/66/497017766.db2.gz KFDIGRPEWFWWRJ-GFCCVEGCSA-N 0 1 368.886 3.147 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1O ZINC000248534192 497031988 /nfs/dbraw/zinc/03/19/88/497031988.db2.gz JCBRTZUTCDDTBK-LYRGGWFBSA-N 0 1 351.830 3.466 20 10 FGCDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278321328 497073186 /nfs/dbraw/zinc/07/31/86/497073186.db2.gz YAOPKYFBZHXONP-ZDUSSCGKSA-N 0 1 358.394 3.307 20 10 FGCDMN Nc1ccc(CC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000237902542 497311343 /nfs/dbraw/zinc/31/13/43/497311343.db2.gz NDFPQGIDBDKBDS-LJQANCHMSA-N 0 1 357.885 3.418 20 10 FGCDMN Cc1cc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)ccc1N(C)C ZINC000271571251 497386386 /nfs/dbraw/zinc/38/63/86/497386386.db2.gz ZDDOGCSDGZKLGE-CQSZACIVSA-N 0 1 364.486 3.454 20 10 FGCDMN CCCN1C(=O)CCc2cc(NC(=O)c3c(F)ccc(O)c3O)ccc21 ZINC000276552930 497600295 /nfs/dbraw/zinc/60/02/95/497600295.db2.gz HXQBNFCXMWEHFL-UHFFFAOYSA-N 0 1 358.369 3.178 20 10 FGCDMN CCS(=O)(=O)c1ccc(CNCc2ccc(N(C)C)c(F)c2)s1 ZINC000280477799 497765868 /nfs/dbraw/zinc/76/58/68/497765868.db2.gz DEYPAMRSQASNAP-UHFFFAOYSA-N 0 1 356.488 3.037 20 10 FGCDMN COC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000273119761 497801432 /nfs/dbraw/zinc/80/14/32/497801432.db2.gz SHOPVMXPPKHNEJ-JTQLQIEISA-N 0 1 357.248 3.036 20 10 FGCDMN CC(C)(C)c1ncc(CNCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000284529033 497821663 /nfs/dbraw/zinc/82/16/63/497821663.db2.gz ZSYTZQIZPPYJNP-UHFFFAOYSA-N 0 1 358.461 3.040 20 10 FGCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC3(C[C@@H]3c3nnc(C)o3)CC2)c1[O-] ZINC000364204771 497840039 /nfs/dbraw/zinc/84/00/39/497840039.db2.gz DKCJTXOLQQNBNK-MRXNPFEDSA-N 0 1 359.401 3.195 20 10 FGCDMN COc1ccc(N2CCN(CCCNc3ncccc3Cl)CC2)cc1 ZINC000301109124 497955704 /nfs/dbraw/zinc/95/57/04/497955704.db2.gz VPBCHHMCAHMURU-UHFFFAOYSA-N 0 1 360.889 3.368 20 10 FGCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)c3ccoc3)CC2)c1O ZINC000359961909 498232639 /nfs/dbraw/zinc/23/26/39/498232639.db2.gz UFLPARXILOBWMQ-UHFFFAOYSA-N 0 1 364.829 3.042 20 10 FGCDMN CC[C@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287798901 498866589 /nfs/dbraw/zinc/86/65/89/498866589.db2.gz TZSIMEDTXNRADO-WBMJQRKESA-N 0 1 360.329 3.376 20 10 FGCDMN Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C2 ZINC000363871028 499033266 /nfs/dbraw/zinc/03/32/66/499033266.db2.gz ZIXWEVCUDAXDCF-YGRLFVJLSA-N 0 1 362.271 3.461 20 10 FGCDMN CC(C)(C)c1ncc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000284226749 499071530 /nfs/dbraw/zinc/07/15/30/499071530.db2.gz DDHKPQVYDAIBHG-UHFFFAOYSA-N 0 1 372.488 3.164 20 10 FGCDMN CCOc1ccc(O)c(C[N@@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1 ZINC000371378625 499317187 /nfs/dbraw/zinc/31/71/87/499317187.db2.gz JPRWQMHUSULLAM-UHFFFAOYSA-N 0 1 359.470 3.184 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@](C)(F)C2)C1 ZINC000444353942 500838415 /nfs/dbraw/zinc/83/84/15/500838415.db2.gz VIZKOZGHHZDBDE-OAQYLSRUSA-N 0 1 357.473 3.368 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]2C2CC2)C1 ZINC000452484042 501510577 /nfs/dbraw/zinc/51/05/77/501510577.db2.gz CIALTTAULOZNKE-IBGZPJMESA-N 0 1 351.494 3.419 20 10 FGCDMN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000472230389 502278678 /nfs/dbraw/zinc/27/86/78/502278678.db2.gz MQRNAVFDAOODSH-LJQANCHMSA-N 0 1 374.448 3.194 20 10 FGCDMN O=C([O-])C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1cc(Cl)ccc1O ZINC000739793740 600144631 /nfs/dbraw/zinc/14/46/31/600144631.db2.gz OMSDQHIMXLMJNZ-UHFFFAOYSA-N 0 1 371.824 3.318 20 10 FGCDMN COc1cccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1O ZINC000833735279 604676233 /nfs/dbraw/zinc/67/62/33/604676233.db2.gz IUOGYAPURNCQLP-HNNXBMFYSA-N 0 1 355.312 3.076 20 10 FGCDMN CC[C@@H](C)NC(=O)[C@H](C)N(CC)Cc1cc(Br)ccc1O ZINC000076118564 700224526 /nfs/dbraw/zinc/22/45/26/700224526.db2.gz HJLZAOAAYBCVNF-NEPJUHHUSA-N 0 1 357.292 3.280 20 10 FGCDMN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093147548 700447513 /nfs/dbraw/zinc/44/75/13/700447513.db2.gz UOTOIICFWVIOSC-INIZCTEOSA-N 0 1 372.340 3.301 20 10 FGCDMN COc1ccc([C@@H](CO)[N@@H+](C)Cc2cccc(Br)c2[O-])cc1 ZINC000093415604 700451732 /nfs/dbraw/zinc/45/17/32/700451732.db2.gz KOJSIJFAOPYGBT-MRXNPFEDSA-N 0 1 366.255 3.329 20 10 FGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646862 700452775 /nfs/dbraw/zinc/45/27/75/700452775.db2.gz IUTKWTIIHKYXSV-KGLIPLIRSA-N 0 1 366.310 3.487 20 10 FGCDMN CCc1nsc(N2CCCN(Cc3cc(Cl)ccc3O)CC2)n1 ZINC000093871536 700455260 /nfs/dbraw/zinc/45/52/60/700455260.db2.gz QZFQTBAFTOVDQD-UHFFFAOYSA-N 0 1 352.891 3.172 20 10 FGCDMN CCc1nsc(N2CCC[N@H+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000093871536 700455263 /nfs/dbraw/zinc/45/52/63/700455263.db2.gz QZFQTBAFTOVDQD-UHFFFAOYSA-N 0 1 352.891 3.172 20 10 FGCDMN CCc1nsc(N2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000093871536 700455265 /nfs/dbraw/zinc/45/52/65/700455265.db2.gz QZFQTBAFTOVDQD-UHFFFAOYSA-N 0 1 352.891 3.172 20 10 FGCDMN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cn1 ZINC000126380372 700747474 /nfs/dbraw/zinc/74/74/74/700747474.db2.gz LPVDNCQHCIWSKJ-AWEZNQCLSA-N 0 1 361.873 3.431 20 10 FGCDMN Cc1csc(N2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000133837414 704806841 /nfs/dbraw/zinc/80/68/41/704806841.db2.gz FGCRVLIUKAUOOH-UHFFFAOYSA-N 0 1 368.846 3.041 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000153731645 705010288 /nfs/dbraw/zinc/01/02/88/705010288.db2.gz KBYIMBFMAKMZPW-LJQANCHMSA-N 0 1 361.555 3.073 20 10 FGCDMN CCCCN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160757670 705260968 /nfs/dbraw/zinc/26/09/68/705260968.db2.gz XPIHQHZCVPRUJL-FQEVSTJZSA-N 0 1 364.555 3.466 20 10 FGCDMN CCOc1ccc(CN(CCNC(C)=O)Cc2ccc(C)s2)c(O)c1 ZINC000802652418 724397537 /nfs/dbraw/zinc/39/75/37/724397537.db2.gz FZLLVGDFBZBBIS-UHFFFAOYSA-N 0 1 362.495 3.299 20 10 FGCDMN Cc1cc(NC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000731852069 722478515 /nfs/dbraw/zinc/47/85/15/722478515.db2.gz KMNAXXUUSDGBFM-CQSZACIVSA-N 0 1 364.833 3.128 20 10 FGCDMN CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(C)ccc2O)s1 ZINC000733325920 722495755 /nfs/dbraw/zinc/49/57/55/722495755.db2.gz YIWBVABNIZBLJD-UHFFFAOYSA-N 0 1 368.524 3.082 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000740006413 722534704 /nfs/dbraw/zinc/53/47/04/722534704.db2.gz MIHOVHFOLYYTLN-VQIMIIECSA-N 0 1 360.885 3.018 20 10 FGCDMN Cc1cc(C(=O)NCCc2nc(C)n[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000747143735 722633857 /nfs/dbraw/zinc/63/38/57/722633857.db2.gz NHJXJKXHPLNOTL-UHFFFAOYSA-N 0 1 357.845 3.147 20 10 FGCDMN COc1ccccc1C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756310177 722962731 /nfs/dbraw/zinc/96/27/31/722962731.db2.gz JIERXIWIYNOBNW-GFCCVEGCSA-N 0 1 367.804 3.226 20 10 FGCDMN C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc(Br)ccc1[O-] ZINC000756398302 722963937 /nfs/dbraw/zinc/96/39/37/722963937.db2.gz UOCYSZBZSCGHDW-GXTWGEPZSA-N 0 1 366.255 3.245 20 10 FGCDMN COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000756529253 722966285 /nfs/dbraw/zinc/96/62/85/722966285.db2.gz QOVBMGMDUSVDOH-CMPLNLGQSA-N 0 1 357.248 3.036 20 10 FGCDMN C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000756650219 722968274 /nfs/dbraw/zinc/96/82/74/722968274.db2.gz UKEWGAGFEGSKTG-SNVBAGLBSA-N 0 1 371.275 3.425 20 10 FGCDMN CC[NH+](CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccsc1 ZINC000789957552 723088082 /nfs/dbraw/zinc/08/80/82/723088082.db2.gz UMYOCTARMDRHAQ-ZDUSSCGKSA-N 0 1 352.431 3.111 20 10 FGCDMN Oc1c(Cl)cccc1CN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000763620514 723356665 /nfs/dbraw/zinc/35/66/65/723356665.db2.gz SVRVZOWUABEMTM-UHFFFAOYSA-N 0 1 357.763 3.180 20 10 FGCDMN [O-]c1c(Cl)cccc1C[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000763620514 723356670 /nfs/dbraw/zinc/35/66/70/723356670.db2.gz SVRVZOWUABEMTM-UHFFFAOYSA-N 0 1 357.763 3.180 20 10 FGCDMN Cc1ccc(O)c(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000793610964 723454917 /nfs/dbraw/zinc/45/49/17/723454917.db2.gz ZPRZBQARRBOUAZ-HOTGVXAUSA-N 0 1 352.450 3.480 20 10 FGCDMN C[C@@H](C(=O)NCc1cccc(Br)c1[O-])[NH+]1CCCCCC1 ZINC000765728304 723535380 /nfs/dbraw/zinc/53/53/80/723535380.db2.gz GTRWENUPAXOQOV-LBPRGKRZSA-N 0 1 355.276 3.035 20 10 FGCDMN C[S@@](=O)Cc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000796526684 723641525 /nfs/dbraw/zinc/64/15/25/723641525.db2.gz PTGZJAZIMCKNTP-OAQYLSRUSA-N 0 1 368.296 3.323 20 10 FGCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1COc2ccccc2O1 ZINC000768180526 723649530 /nfs/dbraw/zinc/64/95/30/723649530.db2.gz KVBNBMDHGCEABE-CYBMUJFWSA-N 0 1 364.785 3.226 20 10 FGCDMN COc1cc(Br)cc(CN(C)Cc2cccc(C)n2)c1O ZINC000769481184 723686939 /nfs/dbraw/zinc/68/69/39/723686939.db2.gz SQTFVWCDDRMKMW-UHFFFAOYSA-N 0 1 351.244 3.499 20 10 FGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC(F)(F)C1 ZINC000771062499 723727123 /nfs/dbraw/zinc/72/71/23/723727123.db2.gz ABAFZEFOZMPGGX-AWEZNQCLSA-N 0 1 358.816 3.172 20 10 FGCDMN CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000773921611 723839371 /nfs/dbraw/zinc/83/93/71/723839371.db2.gz LOGSHFAQZRFDJX-LJQANCHMSA-N 0 1 351.418 3.145 20 10 FGCDMN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000773921611 723839377 /nfs/dbraw/zinc/83/93/77/723839377.db2.gz LOGSHFAQZRFDJX-LJQANCHMSA-N 0 1 351.418 3.145 20 10 FGCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000797605685 723841337 /nfs/dbraw/zinc/84/13/37/723841337.db2.gz UPXAEMNPRMDXFS-PBFPGSCMSA-N 0 1 370.287 3.313 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@](C)(O)C(F)(F)F ZINC000799125378 723989523 /nfs/dbraw/zinc/98/95/23/723989523.db2.gz LOUSREDJZFWXBV-GFCCVEGCSA-N 0 1 356.182 3.290 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@](C)(O)C(F)(F)F ZINC000799125378 723989524 /nfs/dbraw/zinc/98/95/24/723989524.db2.gz LOUSREDJZFWXBV-GFCCVEGCSA-N 0 1 356.182 3.290 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Br)ccc1[O-] ZINC000775526859 723998094 /nfs/dbraw/zinc/99/80/94/723998094.db2.gz MFENRBVFANXISW-WAZAZEMKSA-N 0 1 367.287 3.205 20 10 FGCDMN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000775526460 723998125 /nfs/dbraw/zinc/99/81/25/723998125.db2.gz JFDIMHPMOINRTD-MRXNPFEDSA-N 0 1 372.918 3.043 20 10 FGCDMN O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC000775659606 724018113 /nfs/dbraw/zinc/01/81/13/724018113.db2.gz ZCCUFIXXPVQTCH-UHFFFAOYSA-N 0 1 365.792 3.415 20 10 FGCDMN O=[N+]([O-])c1cccc(N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)c1 ZINC000775659606 724018118 /nfs/dbraw/zinc/01/81/18/724018118.db2.gz ZCCUFIXXPVQTCH-UHFFFAOYSA-N 0 1 365.792 3.415 20 10 FGCDMN COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3c([O-])cccc3Cl)C2)c1 ZINC000776231642 724121609 /nfs/dbraw/zinc/12/16/09/724121609.db2.gz LCWPXMIIXXVYPH-ZDUSSCGKSA-N 0 1 362.857 3.431 20 10 FGCDMN COC(=O)[C@@H]1[C@H](CN(Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC000787770577 725038025 /nfs/dbraw/zinc/03/80/25/725038025.db2.gz UEGJEBPRQHVDNC-HOCLYGCPSA-N 0 1 351.349 3.042 20 10 FGCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cccc(F)c1F ZINC000805135310 725052197 /nfs/dbraw/zinc/05/21/97/725052197.db2.gz IXKKAPGDSOFUAD-UHFFFAOYSA-N 0 1 368.188 3.456 20 10 FGCDMN Cc1ccc(C(N)=O)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806243921 725121511 /nfs/dbraw/zinc/12/15/11/725121511.db2.gz UOOTXHMMOCEUNQ-UHFFFAOYSA-N 0 1 368.220 3.428 20 10 FGCDMN C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000807416388 725160879 /nfs/dbraw/zinc/16/08/79/725160879.db2.gz DEJGOXGAPBDSBT-ZDUSSCGKSA-N 0 1 355.276 3.035 20 10 FGCDMN C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000807416388 725160881 /nfs/dbraw/zinc/16/08/81/725160881.db2.gz DEJGOXGAPBDSBT-ZDUSSCGKSA-N 0 1 355.276 3.035 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1[nH]nnc1-c1ccccc1 ZINC000807835552 725171311 /nfs/dbraw/zinc/17/13/11/725171311.db2.gz HBRPUZGJBGLTEV-UHFFFAOYSA-N 0 1 363.204 3.414 20 10 FGCDMN CCC[C@@H](C)N1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000807837324 725171546 /nfs/dbraw/zinc/17/15/46/725171546.db2.gz LMFFVOIGOPWVCU-PWSUYJOCSA-N 0 1 373.280 3.352 20 10 FGCDMN O=C(CCC(=O)NC1CCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837279 725171675 /nfs/dbraw/zinc/17/16/75/725171675.db2.gz JRXZUHLZFSVYKD-UHFFFAOYSA-N 0 1 359.253 3.154 20 10 FGCDMN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000809714144 725261873 /nfs/dbraw/zinc/26/18/73/725261873.db2.gz ZWMMNUXRALEPSU-CQSZACIVSA-N 0 1 369.303 3.344 20 10 FGCDMN CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228978 725298421 /nfs/dbraw/zinc/29/84/21/725298421.db2.gz PCXLLNVSYPICSG-CQSZACIVSA-N 0 1 365.417 3.277 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810235710 725298636 /nfs/dbraw/zinc/29/86/36/725298636.db2.gz UIHSKTWTBNHSEM-TZMCWYRMSA-N 0 1 365.417 3.419 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]nc1-c1ccccn1 ZINC000811528220 725372754 /nfs/dbraw/zinc/37/27/54/725372754.db2.gz ASLBYYHPQZQWHY-UHFFFAOYSA-N 0 1 363.204 3.414 20 10 FGCDMN COC(=O)Cc1occ(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811530119 725372859 /nfs/dbraw/zinc/37/28/59/725372859.db2.gz VSSZNLOCYXYIFB-UHFFFAOYSA-N 0 1 372.204 3.246 20 10 FGCDMN COC(=O)c1ccccc1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683084 726905002 /nfs/dbraw/zinc/90/50/02/726905002.db2.gz SKKNIFPFVVKTDF-UHFFFAOYSA-N 0 1 368.216 3.345 20 10 FGCDMN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3[O-])CC[C@@H]21 ZINC000814176463 726945203 /nfs/dbraw/zinc/94/52/03/726945203.db2.gz QEOLQHDMUCCVCN-BBRMVZONSA-N 0 1 350.434 3.363 20 10 FGCDMN C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)(F)F ZINC000815835524 727101159 /nfs/dbraw/zinc/10/11/59/727101159.db2.gz WSRQOZRMMFJZCZ-RISCZKNCSA-N 0 1 360.832 3.418 20 10 FGCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482549 727166891 /nfs/dbraw/zinc/16/68/91/727166891.db2.gz KBHXSVBNQHUSJB-JTQLQIEISA-N 0 1 372.849 3.025 20 10 FGCDMN O=C(C1CCCCC1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816497745 727168602 /nfs/dbraw/zinc/16/86/02/727168602.db2.gz QEKXFRPATORYGM-UHFFFAOYSA-N 0 1 354.853 3.409 20 10 FGCDMN CCCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1=O ZINC000817589232 727268974 /nfs/dbraw/zinc/26/89/74/727268974.db2.gz MIAVHCGKZVVADA-NEPJUHHUSA-N 0 1 355.276 3.064 20 10 FGCDMN COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000818232172 727302674 /nfs/dbraw/zinc/30/26/74/727302674.db2.gz UPEPDKPLJOTQDY-SSDOTTSWSA-N 0 1 371.802 3.048 20 10 FGCDMN CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)C(N)=O ZINC000824608148 729350293 /nfs/dbraw/zinc/35/02/93/729350293.db2.gz BJRCGWFVHFUMCJ-LBPRGKRZSA-N 0 1 369.303 3.268 20 10 FGCDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)C(N)=O ZINC000824608148 729350295 /nfs/dbraw/zinc/35/02/95/729350295.db2.gz BJRCGWFVHFUMCJ-LBPRGKRZSA-N 0 1 369.303 3.268 20 10 FGCDMN COc1cc(Br)cc(CN2CCSC[C@@H]2C2CC2)c1O ZINC000824914325 729365020 /nfs/dbraw/zinc/36/50/20/729365020.db2.gz PIJWFEPXZXGYMT-CYBMUJFWSA-N 0 1 358.301 3.491 20 10 FGCDMN O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCN1C1CCCCC1 ZINC000825365151 729380407 /nfs/dbraw/zinc/38/04/07/729380407.db2.gz GBQHILXRCZCSPV-HNNXBMFYSA-N 0 1 367.287 3.178 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1Cl ZINC000825425493 729382884 /nfs/dbraw/zinc/38/28/84/729382884.db2.gz ACFMJHZGDWYBOP-UHFFFAOYSA-N 0 1 352.906 3.479 20 10 FGCDMN Cc1cc([O-])c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1Cl ZINC000825903413 729398993 /nfs/dbraw/zinc/39/89/93/729398993.db2.gz GSUATIXGZDLHOK-UHFFFAOYSA-N 0 1 366.874 3.056 20 10 FGCDMN CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000832058807 729685898 /nfs/dbraw/zinc/68/58/98/729685898.db2.gz DVUXBSSYJHHRBQ-UFBFGSQYSA-N 0 1 363.241 3.086 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000834828217 729837513 /nfs/dbraw/zinc/83/75/13/729837513.db2.gz QPLMBLNEQMTVLY-RYUDHWBXSA-N 0 1 351.855 3.267 20 10 FGCDMN C[C@H]1C[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000834836102 729838092 /nfs/dbraw/zinc/83/80/92/729838092.db2.gz LJRFVLJYELZVHE-CLTVBZQCSA-N 0 1 355.475 3.273 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Br)ccc1[O-] ZINC000834849781 729838954 /nfs/dbraw/zinc/83/89/54/729838954.db2.gz FLCJBMVEFVIZBR-HOCLYGCPSA-N 0 1 371.319 3.042 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)c(Cl)c1 ZINC000840877442 730186922 /nfs/dbraw/zinc/18/69/22/730186922.db2.gz XPWIPCHOKJBFMR-UHFFFAOYSA-N 0 1 360.885 3.476 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(Cl)c1 ZINC000840942117 730194781 /nfs/dbraw/zinc/19/47/81/730194781.db2.gz SSTGTMVUXUUCFH-UHFFFAOYSA-N 0 1 374.934 3.036 20 10 FGCDMN CC(C)(C)OC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000846158911 730932610 /nfs/dbraw/zinc/93/26/10/730932610.db2.gz AIYQIZHBGMTBQX-UHFFFAOYSA-N 0 1 360.237 3.437 20 10 FGCDMN COc1cc(Br)cc([C@H](C)NCc2cc(C)ncn2)c1O ZINC000848535668 731177690 /nfs/dbraw/zinc/17/76/90/731177690.db2.gz FRMYSMSXODICKY-JTQLQIEISA-N 0 1 352.232 3.113 20 10 FGCDMN C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000848558059 731181519 /nfs/dbraw/zinc/18/15/19/731181519.db2.gz MVVVZIKEANPUPE-IGQOVBAYSA-N 0 1 371.319 3.303 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(Br)ccc1[O-] ZINC000850503641 731365880 /nfs/dbraw/zinc/36/58/80/731365880.db2.gz YGJIDLSYZUBSQU-MNIFOHHSSA-N 0 1 360.317 3.495 20 10 FGCDMN CN(CCC[NH2+]Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000858098353 732180226 /nfs/dbraw/zinc/18/02/26/732180226.db2.gz LNVNKTRPWDIOKL-UHFFFAOYSA-N 0 1 355.198 3.129 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000858151158 732186416 /nfs/dbraw/zinc/18/64/16/732186416.db2.gz WAPZPUSFEVMZJI-IAQYHMDHSA-N 0 1 358.301 3.299 20 10 FGCDMN C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1[O-] ZINC000858564202 732227352 /nfs/dbraw/zinc/22/73/52/732227352.db2.gz HODFNXKLNKYLRF-NSHDSACASA-N 0 1 362.813 3.106 20 10 FGCDMN CC(C)(CO)[C@H]([NH2+]Cc1c([O-])cccc1Br)c1cccnc1 ZINC000862379766 732820139 /nfs/dbraw/zinc/82/01/39/732820139.db2.gz OGWBDTUGQJLCBN-MRXNPFEDSA-N 0 1 365.271 3.399 20 10 FGCDMN CC(C)(CO)[C@H](NCc1c(O)cccc1Br)c1cccnc1 ZINC000862379766 732820142 /nfs/dbraw/zinc/82/01/42/732820142.db2.gz OGWBDTUGQJLCBN-MRXNPFEDSA-N 0 1 365.271 3.399 20 10 FGCDMN Fc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cnc1Cl ZINC000865418974 733196230 /nfs/dbraw/zinc/19/62/30/733196230.db2.gz QQBBYWQRJGIQKL-UHFFFAOYSA-N 0 1 353.800 3.140 20 10 FGCDMN CCc1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794426 735677580 /nfs/dbraw/zinc/67/75/80/735677580.db2.gz IXARGXYXAIRMPF-WBVHZDCISA-N 0 1 365.539 3.119 20 10 FGCDMN CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)c(F)c1[O-] ZINC000876511617 736108897 /nfs/dbraw/zinc/10/88/97/736108897.db2.gz PCLZNPABDPKGNW-UHFFFAOYSA-N 0 1 350.365 3.140 20 10 FGCDMN CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)c(F)c1[O-] ZINC000876511617 736108899 /nfs/dbraw/zinc/10/88/99/736108899.db2.gz PCLZNPABDPKGNW-UHFFFAOYSA-N 0 1 350.365 3.140 20 10 FGCDMN CN(C)c1ccc(CNC(=O)[C@H](N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000876714319 736135604 /nfs/dbraw/zinc/13/56/04/736135604.db2.gz ZLIMZLFEMAQVAV-MRXNPFEDSA-N 0 1 351.372 3.088 20 10 FGCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877167902 736194203 /nfs/dbraw/zinc/19/42/03/736194203.db2.gz MLKVDSBTYSOIBS-VXGBXAGGSA-N 0 1 356.413 3.406 20 10 FGCDMN CO[C@H]1C[C@H]2C[N@H+](Cc3c([O-])cccc3Cl)Cc3cccnc3N2C1 ZINC000877687898 736704861 /nfs/dbraw/zinc/70/48/61/736704861.db2.gz NFAMACDFUJXEJN-GJZGRUSLSA-N 0 1 359.857 3.050 20 10 FGCDMN CO[C@H]1C[C@H]2C[N@@H+](Cc3c([O-])cccc3Cl)Cc3cccnc3N2C1 ZINC000877687898 736704864 /nfs/dbraw/zinc/70/48/64/736704864.db2.gz NFAMACDFUJXEJN-GJZGRUSLSA-N 0 1 359.857 3.050 20 10 FGCDMN CO[C@H]1C[C@H]2CN(Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687898 736704867 /nfs/dbraw/zinc/70/48/67/736704867.db2.gz NFAMACDFUJXEJN-GJZGRUSLSA-N 0 1 359.857 3.050 20 10 FGCDMN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000878241100 736794022 /nfs/dbraw/zinc/79/40/22/736794022.db2.gz BMSFOPPDPOWLRN-GFCCVEGCSA-N 0 1 362.451 3.008 20 10 FGCDMN C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000880003999 737096541 /nfs/dbraw/zinc/09/65/41/737096541.db2.gz PPZXVHKDWPRMID-RMLUDKJBSA-N 0 1 354.237 3.404 20 10 FGCDMN CN1CCN(c2ccc(CNC(=O)CC(C)(C)CC(F)F)cc2)CC1 ZINC000881848550 737389672 /nfs/dbraw/zinc/38/96/72/737389672.db2.gz BGCGQEGTRPUOOC-UHFFFAOYSA-N 0 1 353.457 3.126 20 10 FGCDMN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)c1 ZINC000882799891 737493538 /nfs/dbraw/zinc/49/35/38/737493538.db2.gz SQLSULWBZJKFGD-UHFFFAOYSA-N 0 1 365.451 3.471 20 10 FGCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000893965789 742219822 /nfs/dbraw/zinc/21/98/22/742219822.db2.gz ASITUQSCWQGKHF-SNVBAGLBSA-N 0 1 354.223 3.397 20 10 FGCDMN CCN(CCNC(=O)NCc1cccc(Cl)c1O)CCC(F)(F)F ZINC000894429195 742282452 /nfs/dbraw/zinc/28/24/52/742282452.db2.gz CHVGFOZEPGTNRM-UHFFFAOYSA-N 0 1 367.799 3.119 20 10 FGCDMN COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)s1 ZINC000896968210 742623526 /nfs/dbraw/zinc/62/35/26/742623526.db2.gz FVPCQOHVPGWNOF-SNVBAGLBSA-N 0 1 352.843 3.278 20 10 FGCDMN COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)s1 ZINC000896968210 742623528 /nfs/dbraw/zinc/62/35/28/742623528.db2.gz FVPCQOHVPGWNOF-SNVBAGLBSA-N 0 1 352.843 3.278 20 10 FGCDMN COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)s1 ZINC000896968210 742623531 /nfs/dbraw/zinc/62/35/31/742623531.db2.gz FVPCQOHVPGWNOF-SNVBAGLBSA-N 0 1 352.843 3.278 20 10 FGCDMN Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)n1 ZINC000897576241 742691560 /nfs/dbraw/zinc/69/15/60/742691560.db2.gz CINIWQGELVQWAH-LBPRGKRZSA-N 0 1 366.259 3.301 20 10 FGCDMN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)n1 ZINC000897576241 742691562 /nfs/dbraw/zinc/69/15/62/742691562.db2.gz CINIWQGELVQWAH-LBPRGKRZSA-N 0 1 366.259 3.301 20 10 FGCDMN Cn1nc(CNCc2ccc(Br)cc2O)cc1C(F)(F)F ZINC000898021081 742734426 /nfs/dbraw/zinc/73/44/26/742734426.db2.gz SUDRLAKZVRXTFY-UHFFFAOYSA-N 0 1 364.165 3.197 20 10 FGCDMN CCn1c(-c2ccc(Br)cc2)cnc1SCc1nn[nH]n1 ZINC000913398987 757511508 /nfs/dbraw/zinc/51/15/08/757511508.db2.gz ZJRNSISQJOLCCE-UHFFFAOYSA-N 0 1 365.260 3.138 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Br)c(F)cc1[O-] ZINC000925778162 759535816 /nfs/dbraw/zinc/53/58/16/759535816.db2.gz RRHHCCFFZQXPTK-RKDXNWHRSA-N 0 1 367.209 3.189 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000927148334 759907447 /nfs/dbraw/zinc/90/74/47/759907447.db2.gz WMKYHTHDBZJYDX-YPMHNXCESA-N 0 1 354.376 3.138 20 10 FGCDMN COc1cc(Br)cc(CN2CCC[C@@H](n3cccn3)C2)c1O ZINC000092967176 494797283 /nfs/dbraw/zinc/79/72/83/494797283.db2.gz ZPXFZYBOCVXSNZ-CQSZACIVSA-N 0 1 366.259 3.197 20 10 FGCDMN CCOc1cccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000121772992 494856712 /nfs/dbraw/zinc/85/67/12/494856712.db2.gz FUWSHFFLPMMJQH-INIZCTEOSA-N 0 1 352.438 3.213 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[N@H+](C2CCOCC2)CC1 ZINC000093527774 494897188 /nfs/dbraw/zinc/89/71/88/494897188.db2.gz QDPSHBHENYPGSY-UHFFFAOYSA-N 0 1 359.297 3.386 20 10 FGCDMN O=C(CC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000129957857 495319904 /nfs/dbraw/zinc/31/99/04/495319904.db2.gz SWNKHZKLYFVMDQ-LBPRGKRZSA-N 0 1 350.768 3.079 20 10 FGCDMN C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(Br)cc1[O-] ZINC000186092071 495851986 /nfs/dbraw/zinc/85/19/86/495851986.db2.gz NTNXCTXGWDQLHW-NSHDSACASA-N 0 1 355.276 3.112 20 10 FGCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268947866 496831849 /nfs/dbraw/zinc/83/18/49/496831849.db2.gz HNCXEGBSURUGRZ-GOSISDBHSA-N 0 1 355.486 3.473 20 10 FGCDMN Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c(=O)n1C ZINC000279435903 497438837 /nfs/dbraw/zinc/43/88/37/497438837.db2.gz HDQDMIUYYVXZNN-NSHDSACASA-N 0 1 351.244 3.013 20 10 FGCDMN CCOCc1cc(CNCc2cc(C)nc(N3CCCC3)n2)ccc1OC ZINC000292800296 498151819 /nfs/dbraw/zinc/15/18/19/498151819.db2.gz NOFPEAIAAQNIQE-UHFFFAOYSA-N 0 1 370.497 3.220 20 10 FGCDMN COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289857892 498325007 /nfs/dbraw/zinc/32/50/07/498325007.db2.gz VIEPGHQXWQQLCP-PWSUYJOCSA-N 0 1 353.768 3.047 20 10 FGCDMN Oc1ccc(Cl)c(F)c1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000365260101 498377865 /nfs/dbraw/zinc/37/78/65/498377865.db2.gz SHEAJCBKNOLHFV-UHFFFAOYSA-N 0 1 372.831 3.383 20 10 FGCDMN Cc1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n[nH]1 ZINC000287355500 498728077 /nfs/dbraw/zinc/72/80/77/498728077.db2.gz XRSMFUVIYJBXQE-CQSZACIVSA-N 0 1 370.501 3.442 20 10 FGCDMN Cc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000363319403 498759625 /nfs/dbraw/zinc/75/96/25/498759625.db2.gz IBQMKPWVXCRHRV-UHFFFAOYSA-N 0 1 367.428 3.371 20 10 FGCDMN CC[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cccc(Cl)c1[O-] ZINC000287626908 498818561 /nfs/dbraw/zinc/81/85/61/498818561.db2.gz KCRVAUNPBJGCEC-SFHVURJKSA-N 0 1 374.916 3.433 20 10 FGCDMN COc1cc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c(F)cn1 ZINC000287683933 498835830 /nfs/dbraw/zinc/83/58/30/498835830.db2.gz MTQNMVOIMLGLMW-HNNXBMFYSA-N 0 1 373.472 3.289 20 10 FGCDMN C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000367085841 499146612 /nfs/dbraw/zinc/14/66/12/499146612.db2.gz RNIDMSQSHCSWDX-BLLLJJGKSA-N 0 1 360.841 3.336 20 10 FGCDMN Cc1ccc(O)c([C@H](C)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 ZINC000369900935 499148508 /nfs/dbraw/zinc/14/85/08/499148508.db2.gz DFPNBIOHPBTUNJ-NWDGAFQWSA-N 0 1 354.376 3.268 20 10 FGCDMN C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000372854520 499184520 /nfs/dbraw/zinc/18/45/20/499184520.db2.gz DSDLZPMJRHAVQB-UTKZUKDTSA-N 0 1 353.510 3.003 20 10 FGCDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000372854520 499184521 /nfs/dbraw/zinc/18/45/21/499184521.db2.gz DSDLZPMJRHAVQB-UTKZUKDTSA-N 0 1 353.510 3.003 20 10 FGCDMN COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377892 499191317 /nfs/dbraw/zinc/19/13/17/499191317.db2.gz MWDYWGGWJKFZHT-HUUCEWRRSA-N 0 1 358.438 3.197 20 10 FGCDMN CC(=O)c1cc(F)cc(CN2CCC(c3nnc4ccccn43)CC2)c1O ZINC000370170227 499191738 /nfs/dbraw/zinc/19/17/38/499191738.db2.gz STJXBHWUDMFQHT-UHFFFAOYSA-N 0 1 368.412 3.156 20 10 FGCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1[O-] ZINC000370170227 499191739 /nfs/dbraw/zinc/19/17/39/499191739.db2.gz STJXBHWUDMFQHT-UHFFFAOYSA-N 0 1 368.412 3.156 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000373258505 499460270 /nfs/dbraw/zinc/46/02/70/499460270.db2.gz ZKVZOABAKRBUEO-OCCSQVGLSA-N 0 1 359.857 3.074 20 10 FGCDMN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000375266574 499501038 /nfs/dbraw/zinc/50/10/38/499501038.db2.gz MHTHZUCQFCMJQR-CQSZACIVSA-N 0 1 353.825 3.109 20 10 FGCDMN Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000377370964 499684390 /nfs/dbraw/zinc/68/43/90/499684390.db2.gz GAKYQMGXYXMLNP-HNNXBMFYSA-N 0 1 364.877 3.224 20 10 FGCDMN CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000378007541 499754734 /nfs/dbraw/zinc/75/47/34/499754734.db2.gz QEGPYYQBTJFSGE-QZTJIDSGSA-N 0 1 362.445 3.099 20 10 FGCDMN CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007541 499754736 /nfs/dbraw/zinc/75/47/36/499754736.db2.gz QEGPYYQBTJFSGE-QZTJIDSGSA-N 0 1 362.445 3.099 20 10 FGCDMN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000378007541 499754737 /nfs/dbraw/zinc/75/47/37/499754737.db2.gz QEGPYYQBTJFSGE-QZTJIDSGSA-N 0 1 362.445 3.099 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC=C(F)C2)C1 ZINC000444353968 500838648 /nfs/dbraw/zinc/83/86/48/500838648.db2.gz VOIOVRHGZAVPOX-UHFFFAOYSA-N 0 1 355.457 3.494 20 10 FGCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)CC3(C)C)ccc21 ZINC000500481613 503633578 /nfs/dbraw/zinc/63/35/78/503633578.db2.gz BCCBCEABMBRNKJ-UHFFFAOYSA-N 0 1 357.498 3.071 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2Cc3cccnc3C2)C1 ZINC000563019039 505022610 /nfs/dbraw/zinc/02/26/10/505022610.db2.gz STKRRLKNZYMJQQ-UHFFFAOYSA-N 0 1 374.488 3.345 20 10 FGCDMN COCC1(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCC1 ZINC000557198036 505090892 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/nfs/dbraw/zinc/39/93/44/729399344.db2.gz IGVXUFQOMCBHNG-UHFFFAOYSA-N 0 1 351.244 3.198 20 10 FGCDMN COCCN(Cc1cccnc1)Cc1ccc(Br)cc1O ZINC000825916056 729399347 /nfs/dbraw/zinc/39/93/47/729399347.db2.gz IGVXUFQOMCBHNG-UHFFFAOYSA-N 0 1 351.244 3.198 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827856428 729436093 /nfs/dbraw/zinc/43/60/93/729436093.db2.gz OUJKUKCUNHDCQM-OAHLLOKOSA-N 0 1 371.319 3.006 20 10 FGCDMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000835081584 729857337 /nfs/dbraw/zinc/85/73/37/729857337.db2.gz JUFMWQBYKXVPQY-AWEZNQCLSA-N 0 1 370.877 3.161 20 10 FGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1[O-] ZINC000840797092 730175288 /nfs/dbraw/zinc/17/52/88/730175288.db2.gz PTAPGGVXPYWXPW-XJKSGUPXSA-N 0 1 369.889 3.420 20 10 FGCDMN Cc1cc([O-])c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c(Cl)c1 ZINC000840946118 730194908 /nfs/dbraw/zinc/19/49/08/730194908.db2.gz ITGOXZHGTZLXLU-UHFFFAOYSA-N 0 1 366.874 3.056 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C(C)(C)CN2CCOCC2)c1 ZINC000840975811 730200074 /nfs/dbraw/zinc/20/00/74/730200074.db2.gz ALSMGOLWXAECCK-UHFFFAOYSA-N 0 1 371.319 3.006 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1[O-] ZINC000841747671 730270083 /nfs/dbraw/zinc/27/00/83/730270083.db2.gz RWNLXLKOJZDIDN-LBPRGKRZSA-N 0 1 353.871 3.441 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1cc(Br)ccc1[O-] ZINC000846207776 730936438 /nfs/dbraw/zinc/93/64/38/730936438.db2.gz FHGSRPKQAZWMKK-BXUZGUMPSA-N 0 1 355.276 3.064 20 10 FGCDMN COc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ccn(C)n2)c1O ZINC000848552793 731180474 /nfs/dbraw/zinc/18/04/74/731180474.db2.gz NNIXSHUOKOMXJM-ZJUUUORDSA-N 0 1 354.248 3.309 20 10 FGCDMN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NCc1cccc(Cl)c1O ZINC000848928996 731222205 /nfs/dbraw/zinc/22/22/05/731222205.db2.gz REGUBWGCUULLMO-INIZCTEOSA-N 0 1 362.857 3.483 20 10 FGCDMN CNC(=O)CC1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCCC1 ZINC000850399859 731352330 /nfs/dbraw/zinc/35/23/30/731352330.db2.gz SRBACBUFNMAISV-UHFFFAOYSA-N 0 1 369.303 3.331 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(Br)ccc1[O-] ZINC000850503646 731365939 /nfs/dbraw/zinc/36/59/39/731365939.db2.gz YGJIDLSYZUBSQU-YBQGDOTASA-N 0 1 360.317 3.495 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000854475704 731832563 /nfs/dbraw/zinc/83/25/63/731832563.db2.gz WIMYFOXGWNBRNA-OBJOEFQTSA-N 0 1 371.264 3.010 20 10 FGCDMN Cn1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(Cl)n1 ZINC000856772031 732057835 /nfs/dbraw/zinc/05/78/35/732057835.db2.gz NEOHGCDOCHVKOI-CYBMUJFWSA-N 0 1 370.831 3.434 20 10 FGCDMN COc1cc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1O ZINC000857508401 732134912 /nfs/dbraw/zinc/13/49/12/732134912.db2.gz RIJMHNGMJYCFES-UHFFFAOYSA-N 0 1 356.205 3.272 20 10 FGCDMN Cc1cc([C@](C)(O)C[NH2+]Cc2c([O-])cccc2Br)c(C)o1 ZINC000858144736 732185712 /nfs/dbraw/zinc/18/57/12/732185712.db2.gz GGDADDZQQFTKKZ-MRXNPFEDSA-N 0 1 354.244 3.362 20 10 FGCDMN CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249465 732798486 /nfs/dbraw/zinc/79/84/86/732798486.db2.gz PXLQKSJRQOBWQL-LLVKDONJSA-N 0 1 356.260 3.318 20 10 FGCDMN CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249465 732798491 /nfs/dbraw/zinc/79/84/91/732798491.db2.gz PXLQKSJRQOBWQL-LLVKDONJSA-N 0 1 356.260 3.318 20 10 FGCDMN CC1([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)OCCO1 ZINC000862322513 732807568 /nfs/dbraw/zinc/80/75/68/732807568.db2.gz MTZXRHNMVOWDJL-GFCCVEGCSA-N 0 1 356.260 3.130 20 10 FGCDMN CC1([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)OCCO1 ZINC000862322513 732807572 /nfs/dbraw/zinc/80/75/72/732807572.db2.gz MTZXRHNMVOWDJL-GFCCVEGCSA-N 0 1 356.260 3.130 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000862364613 732816444 /nfs/dbraw/zinc/81/64/44/732816444.db2.gz FLDZITRSSBZHGD-KOLCDFICSA-N 0 1 368.193 3.147 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000862364613 732816448 /nfs/dbraw/zinc/81/64/48/732816448.db2.gz FLDZITRSSBZHGD-KOLCDFICSA-N 0 1 368.193 3.147 20 10 FGCDMN OC[C@H]1CN(Cc2c(O)cccc2Br)CC[C@@H]1C(F)(F)F ZINC000862364613 732816450 /nfs/dbraw/zinc/81/64/50/732816450.db2.gz FLDZITRSSBZHGD-KOLCDFICSA-N 0 1 368.193 3.147 20 10 FGCDMN CC(C)(C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1)C(N)=O ZINC000862383431 732820887 /nfs/dbraw/zinc/82/08/87/732820887.db2.gz SKALSBBWSYOJHQ-GFCCVEGCSA-N 0 1 369.303 3.268 20 10 FGCDMN CC(C)(C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1)C(N)=O ZINC000862383431 732820889 /nfs/dbraw/zinc/82/08/89/732820889.db2.gz SKALSBBWSYOJHQ-GFCCVEGCSA-N 0 1 369.303 3.268 20 10 FGCDMN C[C@H](C[N@@H+](C)Cc1cccc(Br)c1[O-])NC(=O)OC(C)(C)C ZINC000862541558 732848239 /nfs/dbraw/zinc/84/82/39/732848239.db2.gz WGDNSLUCGLEZHZ-LLVKDONJSA-N 0 1 373.291 3.500 20 10 FGCDMN OC1CCN(c2ccc(CNc3ccncc3C(F)(F)F)cc2)CC1 ZINC000865952620 733294934 /nfs/dbraw/zinc/29/49/34/733294934.db2.gz OAOFHXXLJVILNA-UHFFFAOYSA-N 0 1 351.372 3.096 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccc(Cl)cc1[O-] ZINC000866576969 733369207 /nfs/dbraw/zinc/36/92/07/733369207.db2.gz LITTWUJUMFXVTC-ZDUSSCGKSA-N 0 1 359.857 3.422 20 10 FGCDMN Cc1cc(O)c(CN2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1C(C)C ZINC000872807149 735680694 /nfs/dbraw/zinc/68/06/94/735680694.db2.gz KUFPKLSZFTZQML-KDURUIRLSA-N 0 1 351.512 3.081 20 10 FGCDMN C[C@@H](NCc1ncc(I)s1)c1ccccc1O ZINC000877755671 736714555 /nfs/dbraw/zinc/71/45/55/736714555.db2.gz KWXZIHMODFYVSA-MRVPVSSYSA-N 0 1 360.220 3.304 20 10 FGCDMN N[C@@H](Cc1cc2ccccc2o1)C(=O)NCCCSc1nccs1 ZINC000884137981 737637078 /nfs/dbraw/zinc/63/70/78/737637078.db2.gz AFNARZDLLRPUKZ-AWEZNQCLSA-N 0 1 361.492 3.058 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C/c3cccc4c3CCOC4)SC2=S)CC1 ZINC000887272008 739351701 /nfs/dbraw/zinc/35/17/01/739351701.db2.gz FATMILPZNRYPOT-BOPFTXTBSA-N 0 1 374.531 3.055 20 10 FGCDMN COC[C@@H](NCc1ccc(OC)c(OC)c1O)c1ccc(F)c(F)c1 ZINC000893286866 742135395 /nfs/dbraw/zinc/13/53/95/742135395.db2.gz XJYGOWJZQRMVOX-OAHLLOKOSA-N 0 1 353.365 3.165 20 10 FGCDMN CC(C)(C)OC(=O)Nc1ccc(CNCc2cc(Cl)ccc2O)nn1 ZINC000895155554 742382756 /nfs/dbraw/zinc/38/27/56/742382756.db2.gz LMIPFSOCZCEPEJ-UHFFFAOYSA-N 0 1 364.833 3.472 20 10 FGCDMN CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])nn1 ZINC000895155554 742382763 /nfs/dbraw/zinc/38/27/63/742382763.db2.gz LMIPFSOCZCEPEJ-UHFFFAOYSA-N 0 1 364.833 3.472 20 10 FGCDMN Cc1cc(Br)cc(CN2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895837104 742460435 /nfs/dbraw/zinc/46/04/35/742460435.db2.gz RGCAALAXRSWOKH-ZDUSSCGKSA-N 0 1 368.193 3.210 20 10 FGCDMN CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000903235415 743827373 /nfs/dbraw/zinc/82/73/73/743827373.db2.gz UFGUQIFAYWDYNM-LBPRGKRZSA-N 0 1 368.886 3.195 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Br)c(F)cc1[O-] ZINC000925778161 759535320 /nfs/dbraw/zinc/53/53/20/759535320.db2.gz RRHHCCFFZQXPTK-IUCAKERBSA-N 0 1 367.209 3.189 20 10 FGCDMN OC1CCN(c2ccc(CN[C@H]3CCc4c3nccc4Cl)cc2)CC1 ZINC000926726126 759810173 /nfs/dbraw/zinc/81/01/73/759810173.db2.gz XMXYSVNACHUDLO-IBGZPJMESA-N 0 1 357.885 3.473 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccnn1[C@H]1CCOC1 ZINC000934103985 761539872 /nfs/dbraw/zinc/53/98/72/761539872.db2.gz HHLZUZLCDDTDRG-NSHDSACASA-N 0 1 371.224 3.179 20 10 FGCDMN CCOc1cccc(CN2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000092149155 494800936 /nfs/dbraw/zinc/80/09/36/494800936.db2.gz OZTBEVPNPMTUPA-UHFFFAOYSA-N 0 1 360.479 3.201 20 10 FGCDMN Cc1cccnc1[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000118840072 495045989 /nfs/dbraw/zinc/04/59/89/495045989.db2.gz ZDYJMBOSMFFXJI-HXUWFJFHSA-N 0 1 354.498 3.059 20 10 FGCDMN CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185867043 495756826 /nfs/dbraw/zinc/75/68/26/495756826.db2.gz AWCTZMOSDPDMNM-JTQLQIEISA-N 0 1 368.275 3.310 20 10 FGCDMN COc1ccc(O)c(CN2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000180305221 495944619 /nfs/dbraw/zinc/94/46/19/495944619.db2.gz XYKGWSPLBRDWGC-SFHVURJKSA-N 0 1 370.449 3.321 20 10 FGCDMN CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000186376714 495972248 /nfs/dbraw/zinc/97/22/48/495972248.db2.gz XUDPHZGFICMKDG-ZDUSSCGKSA-N 0 1 374.934 3.146 20 10 FGCDMN COCc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000174912025 496161201 /nfs/dbraw/zinc/16/12/01/496161201.db2.gz ZNHIDGSONTUVAG-LFIBNONCSA-N 0 1 362.520 3.128 20 10 FGCDMN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000274764569 497159622 /nfs/dbraw/zinc/15/96/22/497159622.db2.gz RYHNYQFVVOJUBL-UHFFFAOYSA-N 0 1 371.842 3.262 20 10 FGCDMN Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000279620736 497489377 /nfs/dbraw/zinc/48/93/77/497489377.db2.gz YGTZTUNBFBLVSM-RYUDHWBXSA-N 0 1 368.397 3.201 20 10 FGCDMN COCC(=O)N1CCc2cc(N[C@H](C)c3ccc(F)c(F)c3O)ccc21 ZINC000276912600 497685007 /nfs/dbraw/zinc/68/50/07/497685007.db2.gz KYSWXLZWFIYZRH-LLVKDONJSA-N 0 1 362.376 3.379 20 10 FGCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1 ZINC000277079930 497735848 /nfs/dbraw/zinc/73/58/48/497735848.db2.gz CIXHGCYOEPKYQB-GJZGRUSLSA-N 0 1 370.501 3.479 20 10 FGCDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n[nH]1 ZINC000277256483 497789578 /nfs/dbraw/zinc/78/95/78/497789578.db2.gz QISPCNPLADNGAW-VXGBXAGGSA-N 0 1 362.453 3.084 20 10 FGCDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC000301163188 497979007 /nfs/dbraw/zinc/97/90/07/497979007.db2.gz BCDNIRFTTOMQMA-UHFFFAOYSA-N 0 1 358.417 3.488 20 10 FGCDMN COCC1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCOCC1 ZINC000293315221 498342777 /nfs/dbraw/zinc/34/27/77/498342777.db2.gz FGTXDUVGDOYKAA-LBPRGKRZSA-N 0 1 358.276 3.249 20 10 FGCDMN CCc1cc(NCc2ccc(N3CCN(CC)CC3)c(F)c2)nc(C)n1 ZINC000302042432 498381221 /nfs/dbraw/zinc/38/12/21/498381221.db2.gz ITXACTQYGWHYNE-UHFFFAOYSA-N 0 1 357.477 3.241 20 10 FGCDMN CCn1cnnc1[C@H]1CN([C@@H](C)c2ccc3ccccc3c2O)CCO1 ZINC000365525682 498513472 /nfs/dbraw/zinc/51/34/72/498513472.db2.gz CWPKKLMKOUOQTH-KBXCAEBGSA-N 0 1 352.438 3.291 20 10 FGCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000294124163 498596245 /nfs/dbraw/zinc/59/62/45/498596245.db2.gz GMZIQVUYKVMCAM-MLGOLLRUSA-N 0 1 355.793 3.102 20 10 FGCDMN CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1cc(Br)ccc1[O-] ZINC000282907934 498704682 /nfs/dbraw/zinc/70/46/82/498704682.db2.gz XEZHCULSPIHBBN-OAHLLOKOSA-N 0 1 368.275 3.239 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1cc(Br)ccc1[O-] ZINC000367066361 499142766 /nfs/dbraw/zinc/14/27/66/499142766.db2.gz JBXOTKNBYDFKNV-ZQIUZPCESA-N 0 1 367.287 3.253 20 10 FGCDMN CC(=O)c1cc(F)cc(CN[C@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000371752008 499361381 /nfs/dbraw/zinc/36/13/81/499361381.db2.gz DIZOSLTZIFUHNE-IBGZPJMESA-N 0 1 353.397 3.347 20 10 FGCDMN COCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCCc2cccnc21 ZINC000373448028 499470133 /nfs/dbraw/zinc/47/01/33/499470133.db2.gz INNZPKVPLZHVOP-MRXNPFEDSA-N 0 1 356.422 3.042 20 10 FGCDMN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000376525500 499615402 /nfs/dbraw/zinc/61/54/02/499615402.db2.gz FQRVGAOESMIJQE-CYBMUJFWSA-N 0 1 369.252 3.309 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@H]2CCCO2)C1 ZINC000444128225 500807464 /nfs/dbraw/zinc/80/74/64/500807464.db2.gz PYNKDHDXVDDIJJ-QGZVFWFLSA-N 0 1 369.509 3.045 20 10 FGCDMN C[C@]1(Br)C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000529392348 504652901 /nfs/dbraw/zinc/65/29/01/504652901.db2.gz NZHXIYYATWMBEM-UFBFGSQYSA-N 0 1 353.043 3.489 20 10 FGCDMN Fc1ccc(-c2nn[nH]n2)cc1CNCc1ccc(N2CCCCC2)cc1 ZINC000822761289 599459211 /nfs/dbraw/zinc/45/92/11/599459211.db2.gz GWXVANUYJPVUCN-UHFFFAOYSA-N 0 1 366.444 3.286 20 10 FGCDMN COC(=O)C[C@H]1CCCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737593791 599839754 /nfs/dbraw/zinc/83/97/54/599839754.db2.gz WJQKHMUAZIDFHG-CQSZACIVSA-N 0 1 357.406 3.161 20 10 FGCDMN CC(=O)Nc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000736167528 600142181 /nfs/dbraw/zinc/14/21/81/600142181.db2.gz JXWRRMHYAPQFTA-UHFFFAOYSA-N 0 1 362.813 3.091 20 10 FGCDMN O=C([O-])N[C@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000740597106 602424232 /nfs/dbraw/zinc/42/42/32/602424232.db2.gz UQYMRHBOOWFHFC-LBPRGKRZSA-N 0 1 365.227 3.150 20 10 FGCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Br)c1O ZINC000833181975 604680976 /nfs/dbraw/zinc/68/09/76/604680976.db2.gz OSLOEJMWRQBAEA-GDLCADMTSA-N 0 1 354.244 3.372 20 10 FGCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(Br)c1O ZINC000833181975 604680980 /nfs/dbraw/zinc/68/09/80/604680980.db2.gz OSLOEJMWRQBAEA-GDLCADMTSA-N 0 1 354.244 3.372 20 10 FGCDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000833812804 605597144 /nfs/dbraw/zinc/59/71/44/605597144.db2.gz LROOWVJKENNVQW-MNOVXSKESA-N 0 1 357.248 3.023 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC(C)(C)C ZINC000076118488 700224719 /nfs/dbraw/zinc/22/47/19/700224719.db2.gz URZCXBRKPIMBHW-NSHDSACASA-N 0 1 357.292 3.280 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646605 700452971 /nfs/dbraw/zinc/45/29/71/700452971.db2.gz HVYQCXOOSUUVAN-UXHICEINSA-N 0 1 364.555 3.465 20 10 FGCDMN COc1ccc(N2CCC(NC(=O)c3ccc(O)c(Cl)c3)CC2)cc1 ZINC000102484530 700475960 /nfs/dbraw/zinc/47/59/60/700475960.db2.gz CNLSINAZNOARCX-UHFFFAOYSA-N 0 1 360.841 3.453 20 10 FGCDMN COc1cc(OC)c(CC[NH2+]Cc2c([O-])cccc2Cl)c(OC)c1 ZINC000113339877 700571041 /nfs/dbraw/zinc/57/10/41/700571041.db2.gz VIWKZWWJZAXOMC-UHFFFAOYSA-N 0 1 351.830 3.404 20 10 FGCDMN COC(=O)c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000119057213 700619089 /nfs/dbraw/zinc/61/90/89/700619089.db2.gz FURQTFNWAFQOPF-HNNXBMFYSA-N 0 1 361.463 3.422 20 10 FGCDMN CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000121092623 700665822 /nfs/dbraw/zinc/66/58/22/700665822.db2.gz DAPDRIXHXIONID-UHFFFAOYSA-N 0 1 357.292 3.185 20 10 FGCDMN CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000161932800 705285974 /nfs/dbraw/zinc/28/59/74/705285974.db2.gz OPZXCXGCBKIKJK-AWEZNQCLSA-N 0 1 351.418 3.289 20 10 FGCDMN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000161932800 705285977 /nfs/dbraw/zinc/28/59/77/705285977.db2.gz OPZXCXGCBKIKJK-AWEZNQCLSA-N 0 1 351.418 3.289 20 10 FGCDMN CCc1cc(C(=O)N(CC)Cc2cc(Br)ccc2O)n[nH]1 ZINC000175850641 705561341 /nfs/dbraw/zinc/56/13/41/705561341.db2.gz XRNFYPHXGMKBJS-UHFFFAOYSA-N 0 1 352.232 3.103 20 10 FGCDMN Oc1ccccc1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1CCCO1 ZINC000189661911 712799067 /nfs/dbraw/zinc/79/90/67/712799067.db2.gz UWRNDYPJONWYGX-CQSZACIVSA-N 0 1 365.367 3.290 20 10 FGCDMN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000192154991 712851908 /nfs/dbraw/zinc/85/19/08/712851908.db2.gz FUHZAMJPRCQVDO-UHFFFAOYSA-N 0 1 364.370 3.329 20 10 FGCDMN CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000192910484 712877482 /nfs/dbraw/zinc/87/74/82/712877482.db2.gz DDOUYMMTVVUGOT-HNNXBMFYSA-N 0 1 371.319 3.306 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)CC1 ZINC000255920725 713710746 /nfs/dbraw/zinc/71/07/46/713710746.db2.gz BRFRUGMKBFKQTD-NTEUORMPSA-N 0 1 354.447 3.260 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Br)ccc1[O-] ZINC000779065798 724386706 /nfs/dbraw/zinc/38/67/06/724386706.db2.gz 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ZINC000728697655 722453898 /nfs/dbraw/zinc/45/38/98/722453898.db2.gz UYTUTIQQQVDREW-UKTHLTGXSA-N 0 1 353.428 3.333 20 10 FGCDMN O=C(Nc1nccs1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000732232735 722482900 /nfs/dbraw/zinc/48/29/00/722482900.db2.gz HWAWKEDXDVBFGE-ZDUSSCGKSA-N 0 1 366.874 3.288 20 10 FGCDMN CCN(CC(=O)N1CCCC[C@H]1C)Cc1cc(Br)ccc1O ZINC000743872833 722572194 /nfs/dbraw/zinc/57/21/94/722572194.db2.gz BIHYCESRMGVNRE-CYBMUJFWSA-N 0 1 369.303 3.378 20 10 FGCDMN COc1cc(C)cc(CN2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000754728237 722945022 /nfs/dbraw/zinc/94/50/22/722945022.db2.gz YHZZKHGZKUKSQX-UHFFFAOYSA-N 0 1 360.479 3.119 20 10 FGCDMN C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)ccc1[O-] ZINC000756557806 722966845 /nfs/dbraw/zinc/96/68/45/722966845.db2.gz VSGPBXWTRASFAC-GFCCVEGCSA-N 0 1 355.276 3.208 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000790411738 723137036 /nfs/dbraw/zinc/13/70/36/723137036.db2.gz PXBRXFLMNLZSGY-UHFFFAOYSA-N 0 1 350.421 3.201 20 10 FGCDMN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000790416141 723137841 /nfs/dbraw/zinc/13/78/41/723137841.db2.gz SRLOYFQYLFBNGX-UHFFFAOYSA-N 0 1 369.826 3.195 20 10 FGCDMN CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](COC)C(=O)OCC ZINC000792186572 723319275 /nfs/dbraw/zinc/31/92/75/723319275.db2.gz PBXLYPLNYARQDO-AWEZNQCLSA-N 0 1 364.269 3.489 20 10 FGCDMN CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](COC)C(=O)OCC ZINC000792186572 723319277 /nfs/dbraw/zinc/31/92/77/723319277.db2.gz PBXLYPLNYARQDO-AWEZNQCLSA-N 0 1 364.269 3.489 20 10 FGCDMN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792702862 723358865 /nfs/dbraw/zinc/35/88/65/723358865.db2.gz GAKQKZQNXFFFOV-UHFFFAOYSA-N 0 1 367.448 3.010 20 10 FGCDMN Cc1ccc(C[N@@H+](CCO)Cc2cc(C)cc(Br)c2[O-])o1 ZINC000793366346 723430784 /nfs/dbraw/zinc/43/07/84/723430784.db2.gz RQVJWKAAALCDQU-UHFFFAOYSA-N 0 1 354.244 3.359 20 10 FGCDMN COC(=O)CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])CC(C)C ZINC000768852699 723669663 /nfs/dbraw/zinc/66/96/63/723669663.db2.gz 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3.265 20 10 FGCDMN CS[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1[NH+]1CCCC1 ZINC000776487190 724150414 /nfs/dbraw/zinc/15/04/14/724150414.db2.gz WETPATWCDKRTEC-DLBZAZTESA-N 0 1 368.930 3.260 20 10 FGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1C(F)F ZINC000801174465 724274425 /nfs/dbraw/zinc/27/44/25/724274425.db2.gz ONFIZHLBSBFGAP-IHRRRGAJSA-N 0 1 358.816 3.027 20 10 FGCDMN Cc1ccn(C)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000784440744 724853261 /nfs/dbraw/zinc/85/32/61/724853261.db2.gz AIOCEPSMQWTLLV-INIZCTEOSA-N 0 1 361.873 3.087 20 10 FGCDMN O=C(NCCc1cccc(O)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000806685267 725140654 /nfs/dbraw/zinc/14/06/54/725140654.db2.gz OHBMQIMLCUHZCQ-UHFFFAOYSA-N 0 1 355.221 3.447 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-n2ccnc2)nc1 ZINC000807835220 725171407 /nfs/dbraw/zinc/17/14/07/725171407.db2.gz WJVWRNBEQALACV-UHFFFAOYSA-N 0 1 363.204 3.210 20 10 FGCDMN CC(=O)Nc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000807833629 725171425 /nfs/dbraw/zinc/17/14/25/725171425.db2.gz CNDFDINIRZWZKZ-UHFFFAOYSA-N 0 1 360.222 3.044 20 10 FGCDMN NC(=O)c1ccccc1CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836264 725171477 /nfs/dbraw/zinc/17/14/77/725171477.db2.gz TYZUYHUDAHFDMJ-UHFFFAOYSA-N 0 1 367.232 3.047 20 10 FGCDMN CN(C)C(=O)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807836783 725171500 /nfs/dbraw/zinc/17/15/00/725171500.db2.gz OSWYHMBDTNFYSV-UHFFFAOYSA-N 0 1 367.232 3.331 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000807839859 725172215 /nfs/dbraw/zinc/17/22/15/725172215.db2.gz SEWNSSOWGOQKPE-LLVKDONJSA-N 0 1 371.264 3.106 20 10 FGCDMN COCC[N@@H+](Cc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000809734947 725263653 /nfs/dbraw/zinc/26/36/53/725263653.db2.gz UEZHDGLJCPUYKP-UHFFFAOYSA-N 0 1 351.244 3.198 20 10 FGCDMN COCC[N@@H+](Cc1cccnc1)Cc1cccc(Br)c1[O-] ZINC000809741363 725264187 /nfs/dbraw/zinc/26/41/87/725264187.db2.gz NQRLUVHIJOQGNZ-UHFFFAOYSA-N 0 1 351.244 3.198 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000809746683 725264652 /nfs/dbraw/zinc/26/46/52/725264652.db2.gz XRYDTQDAIURNNK-UHFFFAOYSA-N 0 1 365.271 3.243 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000812782141 726811083 /nfs/dbraw/zinc/81/10/83/726811083.db2.gz PIEXJQAHOFJEOJ-GOSISDBHSA-N 0 1 362.813 3.090 20 10 FGCDMN CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000815119245 727040433 /nfs/dbraw/zinc/04/04/33/727040433.db2.gz RIBIDAPAAIEGFQ-OAHLLOKOSA-N 0 1 357.420 3.033 20 10 FGCDMN CCN(C)c1ccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000815119245 727040434 /nfs/dbraw/zinc/04/04/34/727040434.db2.gz RIBIDAPAAIEGFQ-OAHLLOKOSA-N 0 1 357.420 3.033 20 10 FGCDMN Oc1cc(F)c(Cl)cc1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000816498405 727168540 /nfs/dbraw/zinc/16/85/40/727168540.db2.gz UDGQWEWMFFQCDM-UHFFFAOYSA-N 0 1 374.794 3.094 20 10 FGCDMN C[C@H](CNCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)S(C)(=O)=O ZINC000819291441 727364992 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[O-]c1cc(Br)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000824621133 729351383 /nfs/dbraw/zinc/35/13/83/729351383.db2.gz JFWSSZZKXLEDPZ-UHFFFAOYSA-N 0 1 368.300 3.324 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124794 729371791 /nfs/dbraw/zinc/37/17/91/729371791.db2.gz YIHBNDXSISZVTK-RNCFNFMXSA-N 0 1 368.193 3.208 20 10 FGCDMN CCOC(=O)c1sc(NC(=O)c2c(F)ccc(O)c2O)nc1C(C)C ZINC000827400355 729429822 /nfs/dbraw/zinc/42/98/22/729429822.db2.gz ICHLUQGYDZHCDB-UHFFFAOYSA-N 0 1 368.386 3.246 20 10 FGCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000840912959 730190165 /nfs/dbraw/zinc/19/01/65/730190165.db2.gz AKSBFIZIFTUZOX-UHFFFAOYSA-N 0 1 359.407 3.169 20 10 FGCDMN CCS(=O)(=O)c1ccc(CNCc2c(O)cc(C)cc2Cl)s1 ZINC000840941413 730194723 /nfs/dbraw/zinc/19/47/23/730194723.db2.gz WNRKLLKIOQICOK-UHFFFAOYSA-N 0 1 359.900 3.499 20 10 FGCDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840995425 730201791 /nfs/dbraw/zinc/20/17/91/730201791.db2.gz LGBBIHYAXUNTRC-CQSZACIVSA-N 0 1 367.287 3.346 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(Cl)cc1[O-] ZINC000841747329 730270180 /nfs/dbraw/zinc/27/01/80/730270180.db2.gz AMQDIIRIODFXPH-LLVKDONJSA-N 0 1 351.855 3.226 20 10 FGCDMN C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(Cl)cc1[O-] ZINC000841757659 730271275 /nfs/dbraw/zinc/27/12/75/730271275.db2.gz OKCHJBFFEFDTIG-JTQLQIEISA-N 0 1 371.662 3.321 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(Br)cc1[O-] ZINC000842887119 730554088 /nfs/dbraw/zinc/55/40/88/730554088.db2.gz WONUZRPUKMJYAH-GWCFXTLKSA-N 0 1 355.276 3.205 20 10 FGCDMN CCOCc1cc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)ccc1OC ZINC000843306520 730606849 /nfs/dbraw/zinc/60/68/49/730606849.db2.gz SYXBEYIFEUVXQT-LLVKDONJSA-N 0 1 350.440 3.237 20 10 FGCDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000846054486 730923923 /nfs/dbraw/zinc/92/39/23/730923923.db2.gz CFUWZYYRTLFLBT-GFCCVEGCSA-N 0 1 353.871 3.342 20 10 FGCDMN C[C@H](CCO)[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000846111295 730929642 /nfs/dbraw/zinc/92/96/42/730929642.db2.gz NZMSKYDHQCXVLS-MRVPVSSYSA-N 0 1 367.081 3.120 20 10 FGCDMN COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000850494471 731363866 /nfs/dbraw/zinc/36/38/66/731363866.db2.gz RYBDXKJUPKUZLF-ABAIWWIYSA-N 0 1 358.276 3.247 20 10 FGCDMN CC[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1[O-] ZINC000850559983 731373251 /nfs/dbraw/zinc/37/32/51/731373251.db2.gz BFQDZKRBALABQS-GDBMZVCRSA-N 0 1 351.878 3.376 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850559037 731373295 /nfs/dbraw/zinc/37/32/95/731373295.db2.gz WDXZEUXEZOWQSV-VXGBXAGGSA-N 0 1 369.303 3.452 20 10 FGCDMN C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000858195392 732191336 /nfs/dbraw/zinc/19/13/36/732191336.db2.gz VDLFRRRFROEOTG-SJKOYZFVSA-N 0 1 350.256 3.409 20 10 FGCDMN CCOCc1cc(CNCc2c(C(F)(F)F)cnn2C)ccc1OC ZINC000858212199 732192743 /nfs/dbraw/zinc/19/27/43/732192743.db2.gz ZNYBHNAFDYCJQA-UHFFFAOYSA-N 0 1 357.376 3.274 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000858526470 732223964 /nfs/dbraw/zinc/22/39/64/732223964.db2.gz CGLUIBJSFRKWMU-OCCSQVGLSA-N 0 1 370.877 3.332 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000858603126 732230919 /nfs/dbraw/zinc/23/09/19/732230919.db2.gz RMSPLBXMVDCJRX-LSDHHAIUSA-N 0 1 367.287 3.349 20 10 FGCDMN Oc1cccc(Br)c1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000862250737 732798739 /nfs/dbraw/zinc/79/87/39/732798739.db2.gz SSKQAAWISUCQIC-CYBMUJFWSA-N 0 1 368.193 3.290 20 10 FGCDMN CN(CC(F)F)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862249862 732798791 /nfs/dbraw/zinc/79/87/91/732798791.db2.gz FPGJUJBWSCJAST-UHFFFAOYSA-N 0 1 363.246 3.316 20 10 FGCDMN C[C@@H](C[N@@H+](C)Cc1cccc(Br)c1[O-])NC(=O)OC(C)(C)C ZINC000862541559 732847916 /nfs/dbraw/zinc/84/79/16/732847916.db2.gz WGDNSLUCGLEZHZ-NSHDSACASA-N 0 1 373.291 3.500 20 10 FGCDMN FC(F)(F)[C@H](CNCc1ccc(N2CCCCC2)cc1)n1cncn1 ZINC000865682299 733251328 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CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1cccc(Cl)c1)cc2=O ZINC000181414103 496386081 /nfs/dbraw/zinc/38/60/81/496386081.db2.gz WMCJWYUBBCYJPL-LLVKDONJSA-N 0 1 374.828 3.116 20 10 FGCDMN C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(Br)ccc1[O-] ZINC000185052159 496638516 /nfs/dbraw/zinc/63/85/16/496638516.db2.gz XYQLPVYQZCRJTI-NSHDSACASA-N 0 1 356.260 3.491 20 10 FGCDMN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N(C)Cc1ccccc1O ZINC000264753261 496978057 /nfs/dbraw/zinc/97/80/57/496978057.db2.gz WXMOOTWUGFITIQ-OAHLLOKOSA-N 0 1 351.450 3.053 20 10 FGCDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc(O)c4O)C3)[nH]c2c1 ZINC000192998671 497270327 /nfs/dbraw/zinc/27/03/27/497270327.db2.gz QETDZKZJWLRCIB-CYBMUJFWSA-N 0 1 351.406 3.302 20 10 FGCDMN COc1c([O-])c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278938327 497273712 /nfs/dbraw/zinc/27/37/12/497273712.db2.gz XHSBPLONIMFVRX-SJORKVTESA-N 0 1 358.394 3.319 20 10 FGCDMN C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280952173 497963781 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FGCDMN COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000756337577 722963026 /nfs/dbraw/zinc/96/30/26/722963026.db2.gz HJRJMAAIZJWBLP-CQSZACIVSA-N 0 1 353.777 3.499 20 10 FGCDMN CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000756396523 722963920 /nfs/dbraw/zinc/96/39/20/722963920.db2.gz OIZYEHWWVQJZAD-LLVKDONJSA-N 0 1 363.255 3.365 20 10 FGCDMN C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cc(Br)ccc1[O-] ZINC000756398414 722963946 /nfs/dbraw/zinc/96/39/46/722963946.db2.gz FMYCXGXQIGLQBI-LLVKDONJSA-N 0 1 367.287 3.206 20 10 FGCDMN C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(Br)cc1[O-] ZINC000756758157 722969660 /nfs/dbraw/zinc/96/96/60/722969660.db2.gz FUVNSKIUOFBRFC-SNVBAGLBSA-N 0 1 355.207 3.418 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Br)cc1[O-] ZINC000756787887 722970104 /nfs/dbraw/zinc/97/01/04/722970104.db2.gz SUDKDEWWYUPSKR-AAEUAGOBSA-N 0 1 356.260 3.491 20 10 FGCDMN C[C@H]1CCCN(Cc2csc(NC(=O)c3c(F)ccc(O)c3O)n2)C1 ZINC000790070674 723102387 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CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000796532188 723642175 /nfs/dbraw/zinc/64/21/75/723642175.db2.gz PPBCIGNRQUTTID-ZJUUUORDSA-N 0 1 368.890 3.212 20 10 FGCDMN CCCN(Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000768182307 723649697 /nfs/dbraw/zinc/64/96/97/723649697.db2.gz YTLQIDQEBVKJLM-IBGZPJMESA-N 0 1 359.491 3.458 20 10 FGCDMN CN(Cc1csc(Br)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439243 723657463 /nfs/dbraw/zinc/65/74/63/723657463.db2.gz DSYXDUBZLDZWGY-ZDUSSCGKSA-N 0 1 370.268 3.274 20 10 FGCDMN Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccn1C ZINC000798980940 723981540 /nfs/dbraw/zinc/98/15/40/723981540.db2.gz FELNUCMDCJIARB-MRXNPFEDSA-N 0 1 361.873 3.087 20 10 FGCDMN CC[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775413554 723989104 /nfs/dbraw/zinc/98/91/04/723989104.db2.gz GGYJLXYMVBHABQ-GDBMZVCRSA-N 0 1 363.255 3.422 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC)C1)c1cc(Br)ccc1[O-] ZINC000775501419 723996266 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20 10 FGCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)Cc1ccccc1 ZINC000816624830 727181713 /nfs/dbraw/zinc/18/17/13/727181713.db2.gz IVDSKIFFUNDXST-INIZCTEOSA-N 0 1 350.256 3.190 20 10 FGCDMN C[N@H+](Cc1cccc(Br)c1[O-])C[C@@H](O)Cc1ccccc1 ZINC000816624850 727181893 /nfs/dbraw/zinc/18/18/93/727181893.db2.gz JMLOPUZGGIRNMR-HNNXBMFYSA-N 0 1 350.256 3.190 20 10 FGCDMN CCN(CC)c1ccc(CN(C)C(=O)c2cc(Br)[nH]n2)cc1 ZINC000819974520 728958681 /nfs/dbraw/zinc/95/86/81/728958681.db2.gz NIZMKUUNYNENQA-UHFFFAOYSA-N 0 1 365.275 3.291 20 10 FGCDMN OCC1CCN(c2ccc(CNCc3ccnc(Cl)c3F)cc2)CC1 ZINC000823703234 729299917 /nfs/dbraw/zinc/29/99/17/729299917.db2.gz XYRWQHAFRCQZEG-UHFFFAOYSA-N 0 1 363.864 3.373 20 10 FGCDMN Cc1noc(C2CCN(Cc3ccc(Br)cc3O)CC2)n1 ZINC000824592071 729349372 /nfs/dbraw/zinc/34/93/72/729349372.db2.gz DMXLVKBTMPRRSC-UHFFFAOYSA-N 0 1 352.232 3.226 20 10 FGCDMN Cc1noc(C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000824592071 729349373 /nfs/dbraw/zinc/34/93/73/729349373.db2.gz DMXLVKBTMPRRSC-UHFFFAOYSA-N 0 1 352.232 3.226 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824636531 729352019 /nfs/dbraw/zinc/35/20/19/729352019.db2.gz RSOVWRROCNDSFK-KDOFPFPSSA-N 0 1 353.796 3.485 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1Cl ZINC000825297545 729377449 /nfs/dbraw/zinc/37/74/49/729377449.db2.gz ILSFFGRXBLSAMR-UHFFFAOYSA-N 0 1 360.767 3.365 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC000825298303 729377666 /nfs/dbraw/zinc/37/76/66/729377666.db2.gz YPZQIPMFABJYJS-AWEZNQCLSA-N 0 1 350.256 3.411 20 10 FGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1Cl ZINC000825885112 729398333 /nfs/dbraw/zinc/39/83/33/729398333.db2.gz CXCAKSLZGIKRLJ-HNNXBMFYSA-N 0 1 351.878 3.124 20 10 FGCDMN COCC1(C2CCC2)CN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000827012495 729421590 /nfs/dbraw/zinc/42/15/90/729421590.db2.gz YPWJPXYBBPLNAJ-UHFFFAOYSA-N 0 1 370.287 3.412 20 10 FGCDMN CNC(=O)CC1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCCC1 ZINC000827591284 729432135 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/nfs/dbraw/zinc/49/84/71/731498471.db2.gz GNUQQKYQKPZLKB-MRXNPFEDSA-N 0 1 351.244 3.105 20 10 FGCDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000857866681 732164577 /nfs/dbraw/zinc/16/45/77/732164577.db2.gz DRXYJEHPSNPRJH-UFBFGSQYSA-N 0 1 354.237 3.404 20 10 FGCDMN C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c([O-])cccc2Br)C[C@@H](C)O1 ZINC000858089989 732179191 /nfs/dbraw/zinc/17/91/91/732179191.db2.gz HFIVQAGYWRDOBL-CHWSQXEVSA-N 0 1 371.319 3.132 20 10 FGCDMN C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC000858138753 732184975 /nfs/dbraw/zinc/18/49/75/732184975.db2.gz JTKPLSJYCJDDNQ-WBMJQRKESA-N 0 1 350.256 3.409 20 10 FGCDMN CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000858505545 732221463 /nfs/dbraw/zinc/22/14/63/732221463.db2.gz MBRACTICESXPDZ-ZWNOBZJWSA-N 0 1 354.244 3.457 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000862375836 732819158 /nfs/dbraw/zinc/81/91/58/732819158.db2.gz SAYXMPXZRCJWRW-GOSISDBHSA-N 0 1 362.267 3.291 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000862375836 732819162 /nfs/dbraw/zinc/81/91/62/732819162.db2.gz SAYXMPXZRCJWRW-GOSISDBHSA-N 0 1 362.267 3.291 20 10 FGCDMN O=[N+]([O-])c1ccc2oc(CNCCCSc3nccs3)nc2c1 ZINC000877061611 736182401 /nfs/dbraw/zinc/18/24/01/736182401.db2.gz NDSOBSSXTCMRIG-UHFFFAOYSA-N 0 1 350.425 3.465 20 10 FGCDMN COc1nsc(CN[C@@H](C)c2cc(OC)ccc2O)c1Br ZINC000877533514 736680610 /nfs/dbraw/zinc/68/06/10/736680610.db2.gz PLYPWBZAZSWBGX-QMMMGPOBSA-N 0 1 373.272 3.479 20 10 FGCDMN O=C1N(c2ccccc2)[C@H](c2cccc(Br)c2O)NC12CC2 ZINC000877858197 736736547 /nfs/dbraw/zinc/73/65/47/736736547.db2.gz COPSZEODOJKGQP-OAHLLOKOSA-N 0 1 359.223 3.322 20 10 FGCDMN C[NH+](C)Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])ccn1 ZINC000880614170 737192373 /nfs/dbraw/zinc/19/23/73/737192373.db2.gz RKERHYRCKIKLGR-UHFFFAOYSA-N 0 1 369.252 3.477 20 10 FGCDMN Cc1cc(Cn2cc([C@@H](N)c3ccc(Cl)cc3)nn2)ccc1N(C)C ZINC000881377276 737332137 /nfs/dbraw/zinc/33/21/37/737332137.db2.gz 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COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178727965 496552007 /nfs/dbraw/zinc/55/20/07/496552007.db2.gz IOYFLBRRJFCHQS-HNNXBMFYSA-N 0 1 371.437 3.291 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Br)ccc1[O-] ZINC000273378354 496789186 /nfs/dbraw/zinc/78/91/86/496789186.db2.gz HTXNUYCQIILIHQ-NSHDSACASA-N 0 1 350.260 3.467 20 10 FGCDMN C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(F)c(F)c1O ZINC000278506309 497137313 /nfs/dbraw/zinc/13/73/13/497137313.db2.gz RBHAXJBKXUIHKW-LLVKDONJSA-N 0 1 374.395 3.016 20 10 FGCDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000237609232 497262092 /nfs/dbraw/zinc/26/20/92/497262092.db2.gz XCSPBNUIERZTSI-UHFFFAOYSA-N 0 1 355.507 3.307 20 10 FGCDMN Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000279620724 497489354 /nfs/dbraw/zinc/48/93/54/497489354.db2.gz YGTZTUNBFBLVSM-NEPJUHHUSA-N 0 1 368.397 3.201 20 10 FGCDMN C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(Br)cn1 ZINC000279906838 497583818 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CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cccc(Cl)c1[O-] ZINC000287708835 498843245 /nfs/dbraw/zinc/84/32/45/498843245.db2.gz NZZVDXARBSPUKT-SFHVURJKSA-N 0 1 374.916 3.433 20 10 FGCDMN CC1CCN(c2ccc(CN[C@@H](c3nnc[nH]3)c3cccnc3)cc2)CC1 ZINC000284103266 499049477 /nfs/dbraw/zinc/04/94/77/499049477.db2.gz MXWLKLLBRQMWNN-HXUWFJFHSA-N 0 1 362.481 3.315 20 10 FGCDMN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000370621914 499236478 /nfs/dbraw/zinc/23/64/78/499236478.db2.gz JGTNTLGUNTUZAU-NSHDSACASA-N 0 1 366.824 3.246 20 10 FGCDMN COc1cc(Cl)cc(CN2CCCC[C@@H]2CN2CCCC2=O)c1O ZINC000368623239 499314749 /nfs/dbraw/zinc/31/47/49/499314749.db2.gz POQMBILJUNHWMA-OAHLLOKOSA-N 0 1 352.862 3.031 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)ccc1[O-] ZINC000376302011 499598980 /nfs/dbraw/zinc/59/89/80/499598980.db2.gz IMHAVCFCUQIZAB-DETPVDSQSA-N 0 1 356.260 3.143 20 10 FGCDMN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnc2n1CCCCC2 ZINC000376494094 499612412 /nfs/dbraw/zinc/61/24/12/499612412.db2.gz CRARZFPPCDGZPE-SNVBAGLBSA-N 0 1 365.821 3.123 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000377628563 499712610 /nfs/dbraw/zinc/71/26/10/499712610.db2.gz VYRZDUMJHOYPHM-HNNXBMFYSA-N 0 1 362.861 3.060 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC2(C)C)C1 ZINC000452470392 501507140 /nfs/dbraw/zinc/50/71/40/501507140.db2.gz SFABDBIQYUVULZ-HXUWFJFHSA-N 0 1 369.509 3.092 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCOCC2(C)C)C1 ZINC000477587385 501731392 /nfs/dbraw/zinc/73/13/92/501731392.db2.gz FBZQIUGOZQZEJW-UHFFFAOYSA-N 0 1 369.509 3.045 20 10 FGCDMN CCn1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cn1 ZINC000562432565 504819441 /nfs/dbraw/zinc/81/94/41/504819441.db2.gz IWAIUKBLPJCWPN-UHFFFAOYSA-N 0 1 365.481 3.263 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCCOC2)C1 ZINC000557433338 505134017 /nfs/dbraw/zinc/13/40/17/505134017.db2.gz JHZIUVWIKZUSPN-QGZVFWFLSA-N 0 1 369.509 3.045 20 10 FGCDMN COc1ccc2ccc(O)c(C[N@@H+](CCC(=O)[O-])C3CCOCC3)c2c1 ZINC000832504731 600720374 /nfs/dbraw/zinc/72/03/74/600720374.db2.gz VLANQTZBFGZIQK-UHFFFAOYSA-N 0 1 359.422 3.010 20 10 FGCDMN Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc(C)c1OCC(=O)[O-] ZINC000832881394 604474188 /nfs/dbraw/zinc/47/41/88/604474188.db2.gz BQKBRMVYSGWRBK-UHFFFAOYSA-N 0 1 356.466 3.465 20 10 FGCDMN Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000019110018 695639984 /nfs/dbraw/zinc/63/99/84/695639984.db2.gz IPFAQCURXADLSK-UHFFFAOYSA-N 0 1 374.491 3.401 20 10 FGCDMN COc1ccccc1CN(CCO)Cc1cc(Br)ccc1O ZINC000091790040 700425745 /nfs/dbraw/zinc/42/57/45/700425745.db2.gz DBDIFANLPHVNEU-UHFFFAOYSA-N 0 1 366.255 3.158 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017639 700445907 /nfs/dbraw/zinc/44/59/07/700445907.db2.gz NFKSBNPPBUNESB-CYBMUJFWSA-N 0 1 359.297 3.243 20 10 FGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000113329337 700570819 /nfs/dbraw/zinc/57/08/19/700570819.db2.gz 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Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000858146037 732185737 /nfs/dbraw/zinc/18/57/37/732185737.db2.gz NOPVUYREXPCABB-JTQLQIEISA-N 0 1 352.276 3.226 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000863407261 732959048 /nfs/dbraw/zinc/95/90/48/732959048.db2.gz BIFYRZABSVHSCT-QGZVFWFLSA-N 0 1 369.414 3.059 20 10 FGCDMN CCN(CC)c1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)cc1F ZINC000865681889 733251441 /nfs/dbraw/zinc/25/14/41/733251441.db2.gz BGNUQRJSGMZRGH-OAHLLOKOSA-N 0 1 359.371 3.157 20 10 FGCDMN O=C(CCc1nnc(C(F)F)o1)NCc1cc(Cl)cc(Cl)c1O ZINC000868357100 733586101 /nfs/dbraw/zinc/58/61/01/733586101.db2.gz NWVXAITWSSXUPS-UHFFFAOYSA-N 0 1 366.151 3.269 20 10 FGCDMN CCc1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794424 735677650 /nfs/dbraw/zinc/67/76/50/735677650.db2.gz IXARGXYXAIRMPF-NVXWUHKLSA-N 0 1 365.539 3.119 20 10 FGCDMN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822735 736731408 /nfs/dbraw/zinc/73/14/08/736731408.db2.gz HTOJZRMEPANIOQ-YOEHRIQHSA-N 0 1 358.404 3.065 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C(F)F)[nH]n1 ZINC000879024914 736947553 /nfs/dbraw/zinc/94/75/53/736947553.db2.gz SXTISPIOFBKMCM-UHFFFAOYSA-N 0 1 374.185 3.478 20 10 FGCDMN Cn1nc2c(c1C(=O)NCc1cc(Cl)cc(Cl)c1O)CSCC2 ZINC000880004106 737096257 /nfs/dbraw/zinc/09/62/57/737096257.db2.gz QVUWDAQEHUQMNF-UHFFFAOYSA-N 0 1 372.277 3.152 20 10 FGCDMN CCOc1ccc(C[N@H+]2CC[C@H](c3ncc(C(=O)OC)s3)C2)c(O)c1 ZINC000896967972 742623536 /nfs/dbraw/zinc/62/35/36/742623536.db2.gz ARUOBAADOAWNMM-ZDUSSCGKSA-N 0 1 362.451 3.024 20 10 FGCDMN C[C@@H]1CC2(CC(NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)CO1 ZINC000897806975 742715220 /nfs/dbraw/zinc/71/52/20/742715220.db2.gz UTHRVBQHJPHZAF-KADTZOLHSA-N 0 1 359.253 3.456 20 10 FGCDMN CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000903235414 743827563 /nfs/dbraw/zinc/82/75/63/743827563.db2.gz UFGUQIFAYWDYNM-GFCCVEGCSA-N 0 1 368.886 3.195 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Cl)cc1[O-] ZINC000903435482 743850986 /nfs/dbraw/zinc/85/09/86/743850986.db2.gz QYGAXTYZRPVHGG-ONGXEEELSA-N 0 1 369.252 3.124 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000923007934 759048869 /nfs/dbraw/zinc/04/88/69/759048869.db2.gz WVIKGWHSJCQMHR-UJKQEGAGSA-N 0 1 362.267 3.337 20 10 FGCDMN Cc1nonc1[C@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160257 759456541 /nfs/dbraw/zinc/45/65/41/759456541.db2.gz KXIFCLDIXXJUEV-AAEUAGOBSA-N 0 1 352.385 3.299 20 10 FGCDMN C[C@H](c1ccc(Br)cc1O)N1CCc2sc(CN)nc2C1 ZINC000925751237 759531972 /nfs/dbraw/zinc/53/19/72/759531972.db2.gz LMBXLRXFZXUFDP-SECBINFHSA-N 0 1 368.300 3.189 20 10 FGCDMN Cn1nnc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1C(F)F ZINC000934812711 761726525 /nfs/dbraw/zinc/72/65/25/761726525.db2.gz UPCQRVQEGJKWTG-UHFFFAOYSA-N 0 1 366.155 3.087 20 10 FGCDMN COc1ccc(N2CCC(N(C)Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000072801463 494253463 /nfs/dbraw/zinc/25/34/63/494253463.db2.gz ZFBUNYMWOOUYOZ-UHFFFAOYSA-N 0 1 368.437 3.439 20 10 FGCDMN COc1cc(C)c([C@H](C)NC(=O)CN(C)Cc2ccccc2O)cc1OC ZINC000111235996 495052633 /nfs/dbraw/zinc/05/26/33/495052633.db2.gz RYDAZEVJLVWRJW-HNNXBMFYSA-N 0 1 372.465 3.027 20 10 FGCDMN COc1ccc(-n2ccc(CN[C@@H](C)c3cc(OC)ccc3O)n2)cc1 ZINC000185347897 495541013 /nfs/dbraw/zinc/54/10/13/495541013.db2.gz PNLHLNIAMODGCF-AWEZNQCLSA-N 0 1 353.422 3.446 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2ccccc2c1[O-] ZINC000186082159 495848738 /nfs/dbraw/zinc/84/87/38/495848738.db2.gz FYYKQPHWEAKAFA-KBXCAEBGSA-N 0 1 364.449 3.125 20 10 FGCDMN C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(Br)cc1[O-] ZINC000186092086 495852484 /nfs/dbraw/zinc/85/24/84/495852484.db2.gz NTNXCTXGWDQLHW-LLVKDONJSA-N 0 1 355.276 3.112 20 10 FGCDMN COc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)s1 ZINC000177894693 496242225 /nfs/dbraw/zinc/24/22/25/496242225.db2.gz RLGCMZOIAVYIIX-XFXZXTDPSA-N 0 1 354.522 3.052 20 10 FGCDMN COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(Cl)cc1 ZINC000278841868 497239688 /nfs/dbraw/zinc/23/96/88/497239688.db2.gz ZRRAXUDPGJYFAH-CQSZACIVSA-N 0 1 366.801 3.440 20 10 FGCDMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000271581094 497389696 /nfs/dbraw/zinc/38/96/96/497389696.db2.gz WZRGIOHHUCCDKW-ZIAGYGMSSA-N 0 1 361.465 3.316 20 10 FGCDMN CC(C)c1nc(CN2CCC[N@@H+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000364288964 497882234 /nfs/dbraw/zinc/88/22/34/497882234.db2.gz HIZINLHSTVSALO-UHFFFAOYSA-N 0 1 364.877 3.260 20 10 FGCDMN Cc1cccc(CN2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c1O ZINC000364903756 498201531 /nfs/dbraw/zinc/20/15/31/498201531.db2.gz GCVIAKJGKBIRAR-OAHLLOKOSA-N 0 1 351.410 3.268 20 10 FGCDMN Cc1noc([C@@H](NCc2c(O)ccc(Cl)c2F)C2CCOCC2)n1 ZINC000365137887 498317784 /nfs/dbraw/zinc/31/77/84/498317784.db2.gz NZTQNFGLVDTZPC-HNNXBMFYSA-N 0 1 355.797 3.134 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000370373588 499214298 /nfs/dbraw/zinc/21/42/98/499214298.db2.gz JXSMKOWVROMULG-NVXWUHKLSA-N 0 1 356.441 3.273 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000367862839 499239561 /nfs/dbraw/zinc/23/95/61/499239561.db2.gz LGJMOFIJRXNUMT-OCCSQVGLSA-N 0 1 359.253 3.456 20 10 FGCDMN CC[C@@H](c1cccc(Cl)c1[O-])[N@@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367897380 499242866 /nfs/dbraw/zinc/24/28/66/499242866.db2.gz SQULMGVCXLUYKE-GJZGRUSLSA-N 0 1 350.850 3.182 20 10 FGCDMN Cc1ccc(O)c(CN2CCCC[C@H]2c2nc(-c3ncccn3)no2)c1 ZINC000378344554 499504356 /nfs/dbraw/zinc/50/43/56/499504356.db2.gz ALYJIDDOLDISNX-HNNXBMFYSA-N 0 1 351.410 3.268 20 10 FGCDMN FC(F)(F)Oc1ccc(N2CC[C@H](CNCc3csnn3)C2)cc1 ZINC000378454451 499518953 /nfs/dbraw/zinc/51/89/53/499518953.db2.gz PRLZRMDYSTXXQM-LLVKDONJSA-N 0 1 358.389 3.053 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3cocn3)no2)C1 ZINC000582386444 506200220 /nfs/dbraw/zinc/20/02/20/506200220.db2.gz APXWVTFLHUXGGZ-UHFFFAOYSA-N 0 1 363.421 3.494 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(F)(F)C2)C1 ZINC000444271591 500827225 /nfs/dbraw/zinc/82/72/25/500827225.db2.gz YZFOYDPNLSZXBN-UHFFFAOYSA-N 0 1 361.436 3.275 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@H](C)C2)C1 ZINC000436036065 501061309 /nfs/dbraw/zinc/06/13/09/501061309.db2.gz WZIJITFBBVNAQS-IAGOWNOFSA-N 0 1 369.509 3.092 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c1O ZINC000740097670 600559889 /nfs/dbraw/zinc/55/98/89/600559889.db2.gz PLTCEDPYQCZHLG-CQSZACIVSA-N 0 1 355.312 3.007 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c1O ZINC000740097670 600559890 /nfs/dbraw/zinc/55/98/90/600559890.db2.gz PLTCEDPYQCZHLG-CQSZACIVSA-N 0 1 355.312 3.007 20 10 FGCDMN Cn1cc(C[C@H]2CC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)cn1 ZINC000833044622 601300809 /nfs/dbraw/zinc/30/08/09/601300809.db2.gz AIBXWCBXZZJWMA-CQSZACIVSA-N 0 1 365.433 3.042 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O ZINC000833308336 602204222 /nfs/dbraw/zinc/20/42/22/602204222.db2.gz RHYBYVVFXATBPV-BTYIYWSLSA-N 0 1 355.434 3.371 20 10 FGCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833695763 605041447 /nfs/dbraw/zinc/04/14/47/605041447.db2.gz VSSTYVNRNKMOHU-LJQANCHMSA-N 0 1 374.868 3.434 20 10 FGCDMN CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1cc(Br)ccc1[O-] ZINC000037138422 695754278 /nfs/dbraw/zinc/75/42/78/695754278.db2.gz RUSYFOIELXBSEM-OAHLLOKOSA-N 0 1 355.276 3.206 20 10 FGCDMN CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1cc(Br)ccc1[O-] ZINC000037138420 695754321 /nfs/dbraw/zinc/75/43/21/695754321.db2.gz RUSYFOIELXBSEM-HNNXBMFYSA-N 0 1 355.276 3.206 20 10 FGCDMN CC[C@H](C)NC(=O)[C@@H](C)N(CC)Cc1cc(Br)ccc1O ZINC000076118563 700224597 /nfs/dbraw/zinc/22/45/97/700224597.db2.gz HJLZAOAAYBCVNF-NWDGAFQWSA-N 0 1 357.292 3.280 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000092482772 700436443 /nfs/dbraw/zinc/43/64/43/700436443.db2.gz RKPMCPRNOLWVHH-UHFFFAOYSA-N 0 1 368.300 3.324 20 10 FGCDMN O=S(=O)(NCCCSc1nccs1)c1c(F)cc(F)cc1F ZINC000117365286 700603118 /nfs/dbraw/zinc/60/31/18/700603118.db2.gz JKIBREBTQKWYGS-UHFFFAOYSA-N 0 1 368.427 3.021 20 10 FGCDMN Cn1ncc(Cl)c1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000131882372 700821065 /nfs/dbraw/zinc/82/10/65/700821065.db2.gz ZHGKNARVBQNPNN-GFCCVEGCSA-N 0 1 370.831 3.434 20 10 FGCDMN CCCCN(Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160790655 705261396 /nfs/dbraw/zinc/26/13/96/705261396.db2.gz RRCQPNUHIPEFNB-LJQANCHMSA-N 0 1 352.544 3.322 20 10 FGCDMN COc1cc(C)cc(CN(C)Cc2cc(Br)cn2C)c1O ZINC000164491231 705330302 /nfs/dbraw/zinc/33/03/02/705330302.db2.gz MDNSARFLSHLYQP-UHFFFAOYSA-N 0 1 353.260 3.442 20 10 FGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000171409018 705383541 /nfs/dbraw/zinc/38/35/41/705383541.db2.gz DQZWVLNUGJIEML-WFASDCNBSA-N 0 1 363.483 3.125 20 10 FGCDMN Oc1cc2c(cc1CN1CCC(O)(c3ccccc3Cl)CC1)OCO2 ZINC000194947961 713540478 /nfs/dbraw/zinc/54/04/78/713540478.db2.gz NPAHEFMBDUZBQL-UHFFFAOYSA-N 0 1 361.825 3.258 20 10 FGCDMN CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000228089922 713574336 /nfs/dbraw/zinc/57/43/36/713574336.db2.gz ALSJXAGRDSGZJP-FZMZJTMJSA-N 0 1 355.276 3.206 20 10 FGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245726292 713610750 /nfs/dbraw/zinc/61/07/50/713610750.db2.gz IUTKWTIIHKYXSV-UONOGXRCSA-N 0 1 366.310 3.487 20 10 FGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245726302 713610791 /nfs/dbraw/zinc/61/07/91/713610791.db2.gz IUTKWTIIHKYXSV-ZIAGYGMSSA-N 0 1 366.310 3.487 20 10 FGCDMN CCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cccc(Cl)c3[O-])C2)no1 ZINC000374995496 713959649 /nfs/dbraw/zinc/95/96/49/713959649.db2.gz DADJNKBFDZYHTG-CQSZACIVSA-N 0 1 364.877 3.087 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Br)ccc1[O-] ZINC000779065796 724386559 /nfs/dbraw/zinc/38/65/59/724386559.db2.gz PUBAEYRYEBZPKE-JSGCOSHPSA-N 0 1 350.260 3.407 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cc(Cl)ccc1[O-] ZINC000756741467 722969396 /nfs/dbraw/zinc/96/93/96/722969396.db2.gz FDZPBBSXYRNLLI-LLVKDONJSA-N 0 1 351.855 3.226 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000781911596 724611201 /nfs/dbraw/zinc/61/12/01/724611201.db2.gz MGEYCZYFOZIVKG-DGCLKSJQSA-N 0 1 368.193 3.351 20 10 FGCDMN CN(CC(=O)N(C)CCOc1ccc(Cl)cc1)Cc1ccccc1O ZINC000732203136 722482323 /nfs/dbraw/zinc/48/23/23/722482323.db2.gz PYYHIMXVRGVHEY-UHFFFAOYSA-N 0 1 362.857 3.015 20 10 FGCDMN CCN(CC(=O)N1CCCCCC1)Cc1cc(Br)ccc1O ZINC000743870801 722572181 /nfs/dbraw/zinc/57/21/81/722572181.db2.gz BNFFMJAUJNOGJM-UHFFFAOYSA-N 0 1 369.303 3.379 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1[O-] ZINC000756502692 722965747 /nfs/dbraw/zinc/96/57/47/722965747.db2.gz KSGVSSBSVCCDBM-GXSJLCMTSA-N 0 1 367.209 3.442 20 10 FGCDMN CC(C)[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C(=O)N1CCCC1 ZINC000756707053 722968870 /nfs/dbraw/zinc/96/88/70/722968870.db2.gz VQFUHIYZJHGKIK-WBMJQRKESA-N 0 1 369.303 3.452 20 10 FGCDMN CN(C)[C@H](CNC(=O)NCCCSc1nccs1)c1cccs1 ZINC000759118085 722999786 /nfs/dbraw/zinc/99/97/86/722999786.db2.gz SDVIJICMGMYPGK-GFCCVEGCSA-N 0 1 370.569 3.289 20 10 FGCDMN O=C([O-])[C@@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCc2c1cccc2F ZINC000789902041 723083257 /nfs/dbraw/zinc/08/32/57/723083257.db2.gz ILYHZDYEJIZZPI-QGZVFWFLSA-N 0 1 353.752 3.340 20 10 FGCDMN CC[C@@H](N[C@H](C)c1nnnn1C1CC1)c1cc(Br)ccc1O ZINC000790749436 723173616 /nfs/dbraw/zinc/17/36/16/723173616.db2.gz DRUXHOFYPMAUEY-NOZJJQNGSA-N 0 1 366.263 3.278 20 10 FGCDMN CCOCCO[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792840307 723373347 /nfs/dbraw/zinc/37/33/47/723373347.db2.gz GCWMRLPGIAUUDK-INIZCTEOSA-N 0 1 360.420 3.399 20 10 FGCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000766048027 723552694 /nfs/dbraw/zinc/55/26/94/723552694.db2.gz PFDVDYLXRXOTRV-UHFFFAOYSA-N 0 1 357.790 3.497 20 10 FGCDMN CCN1CCN(c2ccc(CNC(=O)c3csc(C)c3)cc2F)CC1 ZINC000796230173 723627615 /nfs/dbraw/zinc/62/76/15/723627615.db2.gz DDNQRECZCUYGQF-UHFFFAOYSA-N 0 1 361.486 3.268 20 10 FGCDMN CC(C)COC(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000769229445 723680077 /nfs/dbraw/zinc/68/00/77/723680077.db2.gz JYDGROUSLYBKAD-UHFFFAOYSA-N 0 1 371.275 3.065 20 10 FGCDMN Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)o1 ZINC000769236934 723680271 /nfs/dbraw/zinc/68/02/71/723680271.db2.gz JEJOTTFYJPHVGZ-LLVKDONJSA-N 0 1 352.232 3.226 20 10 FGCDMN Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)o1 ZINC000769236934 723680272 /nfs/dbraw/zinc/68/02/72/723680272.db2.gz JEJOTTFYJPHVGZ-LLVKDONJSA-N 0 1 352.232 3.226 20 10 FGCDMN COc1cc(Br)cc(CN2CCC[C@@H](n3ccnc3)C2)c1O ZINC000769314255 723682093 /nfs/dbraw/zinc/68/20/93/723682093.db2.gz WVODGTYUPQXUAG-CQSZACIVSA-N 0 1 366.259 3.197 20 10 FGCDMN O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769340648 723682861 /nfs/dbraw/zinc/68/28/61/723682861.db2.gz CNGRUFVNOGFARM-AWEZNQCLSA-N 0 1 367.287 3.132 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000769425366 723685221 /nfs/dbraw/zinc/68/52/21/723685221.db2.gz 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[O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000809713358 725261581 /nfs/dbraw/zinc/26/15/81/725261581.db2.gz NFQDGTRVBQJVQG-ZYHUDNBSSA-N 0 1 354.166 3.354 20 10 FGCDMN COc1ccc(C[C@](C)(O)C[NH2+]Cc2c([O-])cccc2Cl)cc1OC ZINC000810174024 725294586 /nfs/dbraw/zinc/29/45/86/725294586.db2.gz NWLRLMLAHUQEFQ-IBGZPJMESA-N 0 1 365.857 3.146 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227701 725298249 /nfs/dbraw/zinc/29/82/49/725298249.db2.gz ZVNSLAWENQORBV-WAZAZEMKSA-N 0 1 356.388 3.461 20 10 FGCDMN CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000811971571 725386412 /nfs/dbraw/zinc/38/64/12/725386412.db2.gz CFLLWNQFGCOIEA-GFCCVEGCSA-N 0 1 372.307 3.074 20 10 FGCDMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000811971571 725386414 /nfs/dbraw/zinc/38/64/14/725386414.db2.gz CFLLWNQFGCOIEA-GFCCVEGCSA-N 0 1 372.307 3.074 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)ccc1[O-] ZINC000817585726 727268195 /nfs/dbraw/zinc/26/81/95/727268195.db2.gz HHBNRKMHJLOUQB-LALPHHSUSA-N 0 1 369.303 3.487 20 10 FGCDMN COC1([C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCOCC1 ZINC000817588144 727268475 /nfs/dbraw/zinc/26/84/75/727268475.db2.gz MBUHPJRULJYXFR-NWDGAFQWSA-N 0 1 358.276 3.389 20 10 FGCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@](C)(O)c1ccccc1 ZINC000822517560 729189723 /nfs/dbraw/zinc/18/97/23/729189723.db2.gz ZQFBFSDTHLTGRU-KRWDZBQOSA-N 0 1 350.256 3.494 20 10 FGCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@](C)(O)c1ccccc1 ZINC000822517560 729189727 /nfs/dbraw/zinc/18/97/27/729189727.db2.gz ZQFBFSDTHLTGRU-KRWDZBQOSA-N 0 1 350.256 3.494 20 10 FGCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@@](C)(O)c1ccccc1 ZINC000822517561 729189916 /nfs/dbraw/zinc/18/99/16/729189916.db2.gz ZQFBFSDTHLTGRU-QGZVFWFLSA-N 0 1 350.256 3.494 20 10 FGCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@](C)(O)c1ccccc1 ZINC000822517561 729189917 /nfs/dbraw/zinc/18/99/17/729189917.db2.gz ZQFBFSDTHLTGRU-QGZVFWFLSA-N 0 1 350.256 3.494 20 10 FGCDMN COc1cc(Cl)cc(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O ZINC000825124762 729371874 /nfs/dbraw/zinc/37/18/74/729371874.db2.gz XPBUAUSQOVMTDY-NSHDSACASA-N 0 1 366.811 3.370 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000825131037 729372331 /nfs/dbraw/zinc/37/23/31/729372331.db2.gz IJBINRPKTRNMSQ-UHFFFAOYSA-N 0 1 366.211 3.052 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)N1CCCC[C@H]1C ZINC000825191228 729374117 /nfs/dbraw/zinc/37/41/17/729374117.db2.gz ZGQILFNUCRSGTI-VXGBXAGGSA-N 0 1 355.276 3.034 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1Cl ZINC000825327233 729378815 /nfs/dbraw/zinc/37/88/15/729378815.db2.gz WQNSVFDORIPRQO-UHFFFAOYSA-N 0 1 353.871 3.188 20 10 FGCDMN Oc1cc(Br)ccc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825710454 729392549 /nfs/dbraw/zinc/39/25/49/729392549.db2.gz QCSXPVNOCATTBB-GXFFZTMASA-N 0 1 368.193 3.290 20 10 FGCDMN Oc1c(F)cc(Cl)cc1CN1CCn2ncc(Br)c2C1 ZINC000827451503 729430381 /nfs/dbraw/zinc/43/03/81/729430381.db2.gz KEZKVVSTCQYRSS-UHFFFAOYSA-N 0 1 360.614 3.160 20 10 FGCDMN C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(Cl)ccc1[O-] ZINC000834840542 729838466 /nfs/dbraw/zinc/83/84/66/729838466.db2.gz KDAIUUKIBMIYBY-SNVBAGLBSA-N 0 1 371.662 3.321 20 10 FGCDMN CCNC(=O)COc1cccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840882066 730187807 /nfs/dbraw/zinc/18/78/07/730187807.db2.gz SIAXHRMMDIIAJN-UHFFFAOYSA-N 0 1 362.857 3.159 20 10 FGCDMN CC[C@@H]([NH2+]CCCS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000840889648 730188728 /nfs/dbraw/zinc/18/87/28/730188728.db2.gz TZRDCZFNGMRFHE-CYBMUJFWSA-N 0 1 353.406 3.277 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c(Cl)c1 ZINC000840900624 730189091 /nfs/dbraw/zinc/18/90/91/730189091.db2.gz WAMGOLJSNNJKMT-UHFFFAOYSA-N 0 1 360.767 3.365 20 10 FGCDMN Cc1nsc(N2CCC[N@H+](Cc3c([O-])cc(C)cc3Cl)CC2)n1 ZINC000840917524 730191054 /nfs/dbraw/zinc/19/10/54/730191054.db2.gz RQFSSVVCPHIFGR-UHFFFAOYSA-N 0 1 352.891 3.226 20 10 FGCDMN Cc1nsc(N2CCC[N@@H+](Cc3c([O-])cc(C)cc3Cl)CC2)n1 ZINC000840917524 730191055 /nfs/dbraw/zinc/19/10/55/730191055.db2.gz RQFSSVVCPHIFGR-UHFFFAOYSA-N 0 1 352.891 3.226 20 10 FGCDMN Cc1nsc(N2CCCN(Cc3c(O)cc(C)cc3Cl)CC2)n1 ZINC000840917524 730191056 /nfs/dbraw/zinc/19/10/56/730191056.db2.gz RQFSSVVCPHIFGR-UHFFFAOYSA-N 0 1 352.891 3.226 20 10 FGCDMN C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743677 730269738 /nfs/dbraw/zinc/26/97/38/730269738.db2.gz BIKUKCBVXIKTFI-LBPRGKRZSA-N 0 1 368.886 3.147 20 10 FGCDMN COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])ccc1OCCO ZINC000841746248 730270095 /nfs/dbraw/zinc/27/00/95/730270095.db2.gz WSSSROXOOFVJMI-GFCCVEGCSA-N 0 1 351.830 3.276 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1[O-] ZINC000841751946 730270675 /nfs/dbraw/zinc/27/06/75/730270675.db2.gz OZNWIBCINUYIPR-CABZTGNLSA-N 0 1 350.768 3.250 20 10 FGCDMN COc1ncc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1Cl ZINC000842793934 730544221 /nfs/dbraw/zinc/54/42/21/730544221.db2.gz NRPBFDAMOKEIFB-UHFFFAOYSA-N 0 1 367.858 3.145 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000848558063 731181296 /nfs/dbraw/zinc/18/12/96/731181296.db2.gz MVVVZIKEANPUPE-YIYPIFLZSA-N 0 1 371.319 3.303 20 10 FGCDMN CC[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1[O-] ZINC000850559991 731373310 /nfs/dbraw/zinc/37/33/10/731373310.db2.gz BFQDZKRBALABQS-ZBFHGGJFSA-N 0 1 351.878 3.376 20 10 FGCDMN CC[N@@H+](CCO[C@@H]1CC1(F)F)Cc1cc(Br)ccc1O ZINC000851791757 731498745 /nfs/dbraw/zinc/49/87/45/731498745.db2.gz CUKHLCDFFPOTBD-CYBMUJFWSA-N 0 1 350.203 3.401 20 10 FGCDMN CC[N@H+](CCO[C@@H]1CC1(F)F)Cc1cc(Br)ccc1[O-] ZINC000851791757 731498747 /nfs/dbraw/zinc/49/87/47/731498747.db2.gz CUKHLCDFFPOTBD-CYBMUJFWSA-N 0 1 350.203 3.401 20 10 FGCDMN CC[N@@H+](CCO[C@@H]1CC1(F)F)Cc1cc(Br)ccc1[O-] ZINC000851791757 731498748 /nfs/dbraw/zinc/49/87/48/731498748.db2.gz CUKHLCDFFPOTBD-CYBMUJFWSA-N 0 1 350.203 3.401 20 10 FGCDMN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000852335367 731571323 /nfs/dbraw/zinc/57/13/23/731571323.db2.gz GHGJPNPINUUEBS-CABCVRRESA-N 0 1 358.404 3.234 20 10 FGCDMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000852412966 731580963 /nfs/dbraw/zinc/58/09/63/731580963.db2.gz MNHROJKOLGSHSY-LBPRGKRZSA-N 0 1 360.285 3.371 20 10 FGCDMN Cc1csc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000858352830 732206548 /nfs/dbraw/zinc/20/65/48/732206548.db2.gz GFNLUUYGPUMHOP-GDBMZVCRSA-N 0 1 358.511 3.004 20 10 FGCDMN C[S@](=O)C[C@@H](NCc1c(O)cccc1Br)c1ccccc1 ZINC000862302968 732807119 /nfs/dbraw/zinc/80/71/19/732807119.db2.gz GTXQPGRLAOMQRZ-VFNWGFHPSA-N 0 1 368.296 3.364 20 10 FGCDMN O=S(=O)(C[C@H]1CCC1(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000867269627 733462616 /nfs/dbraw/zinc/46/26/16/733462616.db2.gz GMOJEJYAYQBZGH-MRVPVSSYSA-N 0 1 360.209 3.164 20 10 FGCDMN O=C(/C=C\COC1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000868359844 733586596 /nfs/dbraw/zinc/58/65/96/733586596.db2.gz ZKKXDLLOZKVLLS-UPHRSURJSA-N 0 1 360.237 3.067 20 10 FGCDMN Cc1nccnc1[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000873247918 735743863 /nfs/dbraw/zinc/74/38/63/735743863.db2.gz VZPVBFBXPXFYAN-SECBINFHSA-N 0 1 355.225 3.358 20 10 FGCDMN Cc1ccc(NCc2ccc(F)c(F)c2O)cc1N1CCCS1(=O)=O ZINC000876867556 736156193 /nfs/dbraw/zinc/15/61/93/736156193.db2.gz ZQTKEXACGWOQAA-UHFFFAOYSA-N 0 1 368.405 3.131 20 10 FGCDMN CN1CCN(c2ccc(CNC(=O)C[C@@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000881853165 737390376 /nfs/dbraw/zinc/39/03/76/737390376.db2.gz LVHFESCEWGIPFQ-KRWDZBQOSA-N 0 1 370.324 3.029 20 10 FGCDMN Oc1c(Br)cc(Cl)cc1CNc1n[nH]c2c1COCC2 ZINC000886203307 739228110 /nfs/dbraw/zinc/22/81/10/739228110.db2.gz RWXVONNIQFFXSM-UHFFFAOYSA-N 0 1 358.623 3.216 20 10 FGCDMN C[C@H](Nc1nc(Cl)nc2[nH]cnc21)c1ccc(N2CCOCC2)cc1 ZINC000892026000 739959346 /nfs/dbraw/zinc/95/93/46/739959346.db2.gz WOQFVQBBFJOBNV-NSHDSACASA-N 0 1 358.833 3.016 20 10 FGCDMN COCCOc1ccc(CNCc2ccc(N3CCSCC3)cc2)o1 ZINC000892613151 740022982 /nfs/dbraw/zinc/02/29/82/740022982.db2.gz QSYRTFGJIPJYKT-UHFFFAOYSA-N 0 1 362.495 3.148 20 10 FGCDMN Oc1c(F)cc(Br)cc1CN1CCOC[C@@H]1CC(F)F ZINC000894756860 742328399 /nfs/dbraw/zinc/32/83/99/742328399.db2.gz PMCPWPFMTFCAAV-JTQLQIEISA-N 0 1 354.166 3.150 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000896535443 742562999 /nfs/dbraw/zinc/56/29/99/742562999.db2.gz MBAYQMJEGTWROU-LBPRGKRZSA-N 0 1 363.439 3.220 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C\c3ccc4c(c3)CCCO4)SC2=S)CC1 ZINC000899260860 742900688 /nfs/dbraw/zinc/90/06/88/742900688.db2.gz SYDJJCTXPKDNSI-SFQUDFHCSA-N 0 1 374.531 3.307 20 10 FGCDMN Cc1nonc1[C@H](C)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160262 759456481 /nfs/dbraw/zinc/45/64/81/759456481.db2.gz KXIFCLDIXXJUEV-WCQYABFASA-N 0 1 352.385 3.299 20 10 FGCDMN CO[C@]1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCSC1 ZINC000925380472 759484218 /nfs/dbraw/zinc/48/42/18/759484218.db2.gz SQPNGCLNMBMJMK-AWEZNQCLSA-N 0 1 365.282 3.020 20 10 FGCDMN CCc1nn(C)c(CC)c1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000121329219 494704465 /nfs/dbraw/zinc/70/44/65/494704465.db2.gz SQWVCHDKCRNZOB-UHFFFAOYSA-N 0 1 356.514 3.014 20 10 FGCDMN CN(CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccccc1O ZINC000111235494 495052702 /nfs/dbraw/zinc/05/27/02/495052702.db2.gz XGABUXYPBWXGEW-UHFFFAOYSA-N 0 1 356.344 3.008 20 10 FGCDMN CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185377489 495554329 /nfs/dbraw/zinc/55/43/29/495554329.db2.gz VOEPSYOYACHPEG-LLVKDONJSA-N 0 1 355.276 3.064 20 10 FGCDMN CCn1nccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000160035401 495868388 /nfs/dbraw/zinc/86/83/88/495868388.db2.gz KRGQOBOQTCROLR-UHFFFAOYSA-N 0 1 368.403 3.048 20 10 FGCDMN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N(C)Cc1ccccc1O ZINC000264753258 496977542 /nfs/dbraw/zinc/97/75/42/496977542.db2.gz WXMOOTWUGFITIQ-HNNXBMFYSA-N 0 1 351.450 3.053 20 10 FGCDMN CCN(CC)c1ccc(CNCc2cccc(N3CCOCC3)n2)cc1F ZINC000274786641 497165559 /nfs/dbraw/zinc/16/55/59/497165559.db2.gz LNXSIWDJTOUWGW-UHFFFAOYSA-N 0 1 372.488 3.193 20 10 FGCDMN CN(C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccsc1 ZINC000265913523 497206393 /nfs/dbraw/zinc/20/63/93/497206393.db2.gz KXOYCWRFLCWXAS-LJQANCHMSA-N 0 1 370.522 3.226 20 10 FGCDMN CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000281294560 498092560 /nfs/dbraw/zinc/09/25/60/498092560.db2.gz YHGWVFHHKSSTNY-YPMHNXCESA-N 0 1 355.276 3.064 20 10 FGCDMN COCCN(Cc1cccnc1)Cc1cc(Br)ccc1O ZINC000289468967 498157278 /nfs/dbraw/zinc/15/72/78/498157278.db2.gz PENDEBBBPPJVHR-UHFFFAOYSA-N 0 1 351.244 3.198 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc2ccccc2c1[O-] ZINC000360167314 498251870 /nfs/dbraw/zinc/25/18/70/498251870.db2.gz ZQGQSZCUOPAAPU-AUUYWEPGSA-N 0 1 351.450 3.462 20 10 FGCDMN COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289857889 498325270 /nfs/dbraw/zinc/32/52/70/498325270.db2.gz VIEPGHQXWQQLCP-JQWIXIFHSA-N 0 1 353.768 3.047 20 10 FGCDMN CC(C)OCc1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1O ZINC000290478590 498567691 /nfs/dbraw/zinc/56/76/91/498567691.db2.gz HOEGYGDHKFCMHP-UHFFFAOYSA-N 0 1 356.831 3.166 20 10 FGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCSCC1 ZINC000363709673 498953802 /nfs/dbraw/zinc/95/38/02/498953802.db2.gz MOGHRMMEKQGFDT-MRXNPFEDSA-N 0 1 368.930 3.269 20 10 FGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCSCC1 ZINC000363709672 498954224 /nfs/dbraw/zinc/95/42/24/498954224.db2.gz MOGHRMMEKQGFDT-INIZCTEOSA-N 0 1 368.930 3.269 20 10 FGCDMN Cc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)c(C)n1-c1ccccn1 ZINC000366601525 498998038 /nfs/dbraw/zinc/99/80/38/498998038.db2.gz RIEKEGXNDDJGPT-QGZVFWFLSA-N 0 1 364.453 3.283 20 10 FGCDMN Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C2 ZINC000363866015 499030861 /nfs/dbraw/zinc/03/08/61/499030861.db2.gz OAQNPSVFAISBFI-HZMBPMFUSA-N 0 1 362.271 3.461 20 10 FGCDMN CCCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c(O)c1 ZINC000369424799 499402323 /nfs/dbraw/zinc/40/23/23/499402323.db2.gz IPCISXGHTLGNSA-MRXNPFEDSA-N 0 1 371.481 3.497 20 10 FGCDMN 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CCC1CCC([N@@H+](CCO)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000775109653 723961626 /nfs/dbraw/zinc/96/16/26/723961626.db2.gz QNFQXXQHELVBGI-UHFFFAOYSA-N 0 1 352.431 3.072 20 10 FGCDMN Oc1ccc(Br)cc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775143784 723963684 /nfs/dbraw/zinc/96/36/84/723963684.db2.gz BYYIVPYYAXCCMU-TVQRCGJNSA-N 0 1 368.193 3.290 20 10 FGCDMN CC[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc(Br)ccc1[O-] ZINC000775502904 723996542 /nfs/dbraw/zinc/99/65/42/723996542.db2.gz YIVBBEBMPVGSNJ-HNNXBMFYSA-N 0 1 371.319 3.306 20 10 FGCDMN CC[C@@H]([NH2+]CCNc1cnccn1)c1cc(Br)ccc1[O-] ZINC000775513919 723997514 /nfs/dbraw/zinc/99/75/14/723997514.db2.gz OORPKYNAKZMFNR-CYBMUJFWSA-N 0 1 351.248 3.098 20 10 FGCDMN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC000775710868 724028773 /nfs/dbraw/zinc/02/87/73/724028773.db2.gz NTXOUGGOCJDIIQ-GFCCVEGCSA-N 0 1 366.780 3.174 20 10 FGCDMN C[C@H]1CCCN(c2ccc(CNc3ccncc3C(N)=O)cc2Cl)C1 ZINC000799962538 724118620 /nfs/dbraw/zinc/11/86/20/724118620.db2.gz ADEARXYTTZUNIA-ZDUSSCGKSA-N 0 1 358.873 3.104 20 10 FGCDMN COC(=O)[C@@H]1[C@@H](CN(Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC000787770678 725038070 /nfs/dbraw/zinc/03/80/70/725038070.db2.gz UEGJEBPRQHVDNC-ZBFHGGJFSA-N 0 1 351.349 3.042 20 10 FGCDMN CO[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000805112029 725050548 /nfs/dbraw/zinc/05/05/48/725050548.db2.gz FOQXHGSGQHRRBQ-VIFPVBQESA-N 0 1 361.147 3.076 20 10 FGCDMN O=S(=O)(CCC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000805135350 725052401 /nfs/dbraw/zinc/05/24/01/725052401.db2.gz KMFXVLXUXGYHFZ-UHFFFAOYSA-N 0 1 352.161 3.071 20 10 FGCDMN Cc1cc(Br)cc(CN2CC=C(c3ccnn3C)CC2)c1O ZINC000809690839 725258983 /nfs/dbraw/zinc/25/89/83/725258983.db2.gz ZRUKANWPRQQQSK-UHFFFAOYSA-N 0 1 362.271 3.486 20 10 FGCDMN COC(=O)c1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000809712828 725261590 /nfs/dbraw/zinc/26/15/90/725261590.db2.gz VFMSKYQNISECQC-UHFFFAOYSA-N 0 1 350.212 3.231 20 10 FGCDMN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC000809713372 725261653 /nfs/dbraw/zinc/26/16/53/725261653.db2.gz NLUZRRFNZGKKCJ-UHIISALHSA-N 0 1 356.260 3.222 20 10 FGCDMN CC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219442 725297710 /nfs/dbraw/zinc/29/77/10/725297710.db2.gz RUZYWZXWRLRHAW-BBRMVZONSA-N 0 1 360.420 3.420 20 10 FGCDMN CCNC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810226367 725298256 /nfs/dbraw/zinc/29/82/56/725298256.db2.gz FAMXEWLMFQEONM-GXTWGEPZSA-N 0 1 359.392 3.256 20 10 FGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCSC1 ZINC000810631472 725318743 /nfs/dbraw/zinc/31/87/43/725318743.db2.gz UYLNTVLRPPOMTQ-XJKSGUPXSA-N 0 1 368.930 3.269 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811520743 725372422 /nfs/dbraw/zinc/37/24/22/725372422.db2.gz UGTGKDPNPNAMOB-GFCCVEGCSA-N 0 1 357.197 3.251 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811520743 725372423 /nfs/dbraw/zinc/37/24/23/725372423.db2.gz UGTGKDPNPNAMOB-GFCCVEGCSA-N 0 1 357.197 3.251 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1-n1ccnn1 ZINC000813685704 726905338 /nfs/dbraw/zinc/90/53/38/726905338.db2.gz OWHUIPJRCLQXSG-UHFFFAOYSA-N 0 1 363.204 3.210 20 10 FGCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000816590357 727178069 /nfs/dbraw/zinc/17/80/69/727178069.db2.gz XZOPPRAHSWGYKU-KRWDZBQOSA-N 0 1 362.832 3.418 20 10 FGCDMN O=C1NCCCN(Cc2c(O)ccc(Cl)c2F)[C@H]1Cc1ccccc1 ZINC000816641352 727183576 /nfs/dbraw/zinc/18/35/76/727183576.db2.gz OXZFMWLSZVZVOU-INIZCTEOSA-N 0 1 362.832 3.118 20 10 FGCDMN CN(C/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O)CC(F)(F)F ZINC000816682462 727188466 /nfs/dbraw/zinc/18/84/66/727188466.db2.gz YIFNDFHJXZJSDK-IHWYPQMZSA-N 0 1 371.186 3.366 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)ccc1[O-] ZINC000817586784 727268302 /nfs/dbraw/zinc/26/83/02/727268302.db2.gz SGLNHAGPGSTNIP-SRVKXCTJSA-N 0 1 355.276 3.097 20 10 FGCDMN C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978219 727290125 /nfs/dbraw/zinc/29/01/25/727290125.db2.gz YNXBIRAUQNBSRY-PRJMDXOYSA-N 0 1 366.097 3.304 20 10 FGCDMN COC(=O)CCC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824789506 729358992 /nfs/dbraw/zinc/35/89/92/729358992.db2.gz PUUFZQKPZBQORU-UHFFFAOYSA-N 0 1 356.260 3.320 20 10 FGCDMN O=C(CC[NH2+]Cc1ccc(Br)cc1[O-])NC1CCCCC1 ZINC000825130457 729372249 /nfs/dbraw/zinc/37/22/49/729372249.db2.gz AIBJPWRWDKJTBM-UHFFFAOYSA-N 0 1 355.276 3.083 20 10 FGCDMN COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825394423 729381659 /nfs/dbraw/zinc/38/16/59/729381659.db2.gz AGRMQRCULCHMLD-MRXNPFEDSA-N 0 1 366.255 3.377 20 10 FGCDMN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C1=CC(=O)CS1 ZINC000831221433 729626360 /nfs/dbraw/zinc/62/63/60/729626360.db2.gz YVALLZLSFPJWBV-HNNXBMFYSA-N 0 1 360.479 3.286 20 10 FGCDMN CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C(C)C ZINC000834880064 729841561 /nfs/dbraw/zinc/84/15/61/729841561.db2.gz HKPSMHLXLUPHTL-ABAIWWIYSA-N 0 1 357.292 3.308 20 10 FGCDMN CN(C)c1ccc(/C=C/CNCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000835049627 729853242 /nfs/dbraw/zinc/85/32/42/729853242.db2.gz HEWQBPZYEBWKCJ-SNAWJCMRSA-N 0 1 350.509 3.021 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841745921 730270118 /nfs/dbraw/zinc/27/01/18/730270118.db2.gz BUWYDUALWWGZCM-ZYHUDNBSSA-N 0 1 357.784 3.414 20 10 FGCDMN C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841753441 730270785 /nfs/dbraw/zinc/27/07/85/730270785.db2.gz TWMVLQMJSVJODS-AWEZNQCLSA-N 0 1 367.898 3.354 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)cc1[O-] ZINC000841753666 730270905 /nfs/dbraw/zinc/27/09/05/730270905.db2.gz MZAISEXLOGLINT-DYVFJYSZSA-N 0 1 359.857 3.282 20 10 FGCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843433338 730620837 /nfs/dbraw/zinc/62/08/37/730620837.db2.gz XSMIYQCGFFOREF-QGZVFWFLSA-N 0 1 352.356 3.046 20 10 FGCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843433338 730620851 /nfs/dbraw/zinc/62/08/51/730620851.db2.gz XSMIYQCGFFOREF-QGZVFWFLSA-N 0 1 352.356 3.046 20 10 FGCDMN Cc1nc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c1C ZINC000850163975 731327545 /nfs/dbraw/zinc/32/75/45/731327545.db2.gz JLDIGMYWIQLVCN-CQSZACIVSA-N 0 1 350.413 3.387 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000850484041 731361714 /nfs/dbraw/zinc/36/17/14/731361714.db2.gz BFISUVLRSUONLB-DIOULYMOSA-N 0 1 358.276 3.247 20 10 FGCDMN COC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000850494472 731363935 /nfs/dbraw/zinc/36/39/35/731363935.db2.gz RYBDXKJUPKUZLF-IAQYHMDHSA-N 0 1 358.276 3.247 20 10 FGCDMN CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc(Br)ccc1O ZINC000850499314 731364738 /nfs/dbraw/zinc/36/47/38/731364738.db2.gz MYINKENYELGILF-TVYUQYBPSA-N 0 1 351.248 3.493 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(Br)cc1[O-] ZINC000850503815 731365873 /nfs/dbraw/zinc/36/58/73/731365873.db2.gz ZABBKUKKSXRFDB-IUNRRVLSSA-N 0 1 360.317 3.495 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ncoc1-c1ccon1 ZINC000857507362 732134660 /nfs/dbraw/zinc/13/46/60/732134660.db2.gz DNVHYCRONXXEDL-UHFFFAOYSA-N 0 1 354.149 3.272 20 10 FGCDMN Fc1cc(CN[C@@H]2CCc3ccc(Cl)nc32)ccc1N1CCOCC1 ZINC000857903263 732167791 /nfs/dbraw/zinc/16/77/91/732167791.db2.gz ZKWHTOHGPRHCFR-MRXNPFEDSA-N 0 1 361.848 3.488 20 10 FGCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)N1CCCC[C@H]1C ZINC000858121805 732182798 /nfs/dbraw/zinc/18/27/98/732182798.db2.gz AHGYNIMFEKAMTE-VXGBXAGGSA-N 0 1 355.276 3.034 20 10 FGCDMN C[C@@H](NCc1c(O)cccc1Br)C(=O)N1CCCC[C@H]1C ZINC000858121805 732182806 /nfs/dbraw/zinc/18/28/06/732182806.db2.gz AHGYNIMFEKAMTE-VXGBXAGGSA-N 0 1 355.276 3.034 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000858135961 732184295 /nfs/dbraw/zinc/18/42/95/732184295.db2.gz IXZARSSHEZADPD-UHFFFAOYSA-N 0 1 364.239 3.490 20 10 FGCDMN Cn1cc([C@@H](NCc2cccc(Br)c2O)C(F)(F)F)cn1 ZINC000858164798 732188095 /nfs/dbraw/zinc/18/80/95/732188095.db2.gz ZCBJFGDSWLCHFI-GFCCVEGCSA-N 0 1 364.165 3.281 20 10 FGCDMN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2ccc(Br)cc2[O-])n1 ZINC000858591937 732229547 /nfs/dbraw/zinc/22/95/47/732229547.db2.gz NYCGFDNMUSODSF-RGZBUGHASA-N 0 1 368.231 3.027 20 10 FGCDMN C[S@](=O)C[C@H](NCc1c(O)cccc1Br)c1ccccc1 ZINC000862302966 732807101 /nfs/dbraw/zinc/80/71/01/732807101.db2.gz GTXQPGRLAOMQRZ-BTYIYWSLSA-N 0 1 368.296 3.364 20 10 FGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000872119690 735592109 /nfs/dbraw/zinc/59/21/09/735592109.db2.gz UPBVJWLJQPWGDP-IKKMQULASA-N 0 1 357.903 3.360 20 10 FGCDMN COC1CCN(c2ccc(CN3CCO[C@H](C(F)F)CC3)cc2)CC1 ZINC000872272692 735611225 /nfs/dbraw/zinc/61/12/25/735611225.db2.gz QLVXOPWLUVXNFW-SFHVURJKSA-N 0 1 354.441 3.158 20 10 FGCDMN CN(Cc1ccc(F)c(F)c1O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000876814486 736148719 /nfs/dbraw/zinc/14/87/19/736148719.db2.gz NMJJRRBPGHIEJP-ZDUSSCGKSA-N 0 1 373.808 3.284 20 10 FGCDMN O=C(c1cccc(NCc2ccc(F)c(F)c2O)c1)N1CCSCC1 ZINC000876853769 736153909 /nfs/dbraw/zinc/15/39/09/736153909.db2.gz LSNBNXLIWNMHQM-UHFFFAOYSA-N 0 1 364.417 3.472 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693095 736706544 /nfs/dbraw/zinc/70/65/44/736706544.db2.gz ATQCSJDTYXDDBH-WDEREUQCSA-N 0 1 368.193 3.066 20 10 FGCDMN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822733 736730421 /nfs/dbraw/zinc/73/04/21/736730421.db2.gz HTOJZRMEPANIOQ-RHSMWYFYSA-N 0 1 358.404 3.065 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883256123 737542666 /nfs/dbraw/zinc/54/26/66/737542666.db2.gz OIUMSUHSJLXGFQ-HNNXBMFYSA-N 0 1 370.287 3.220 20 10 FGCDMN COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])[C@H]1CCCOC1 ZINC000886788777 739299698 /nfs/dbraw/zinc/29/96/98/739299698.db2.gz ISHIMQZSCKXEHQ-XUJVJEKNSA-N 0 1 358.276 3.247 20 10 FGCDMN O=C(c1ccsc1)N1CCCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000893968136 742220295 /nfs/dbraw/zinc/22/02/95/742220295.db2.gz YPPCHIBHTSDCTA-UHFFFAOYSA-N 0 1 352.406 3.080 20 10 FGCDMN Oc1c(F)cc(F)cc1CN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000894089516 742237703 /nfs/dbraw/zinc/23/77/03/742237703.db2.gz UMKVTZUSGCOFCZ-ZFWWWQNUSA-N 0 1 355.406 3.056 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000894431993 742282845 /nfs/dbraw/zinc/28/28/45/742282845.db2.gz MFYWFWDDWZJNCN-UHFFFAOYSA-N 0 1 350.260 3.441 20 10 FGCDMN Cn1ccc([C@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000896492888 742558371 /nfs/dbraw/zinc/55/83/71/742558371.db2.gz XILWFINOHDZVMJ-LBPRGKRZSA-N 0 1 350.260 3.268 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1[O-] ZINC000903433826 743850215 /nfs/dbraw/zinc/85/02/15/743850215.db2.gz FRWYHCUDBDOZSX-MWLCHTKSSA-N 0 1 369.252 3.124 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Cl)cc1[O-] ZINC000903435481 743851052 /nfs/dbraw/zinc/85/10/52/743851052.db2.gz QYGAXTYZRPVHGG-MWLCHTKSSA-N 0 1 369.252 3.124 20 10 FGCDMN Cc1nonc1[C@@H](C)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924904377 759414766 /nfs/dbraw/zinc/41/47/66/759414766.db2.gz CEYLATOSHRPFRY-LLVKDONJSA-N 0 1 352.385 3.299 20 10 FGCDMN CCCCN(C)C(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079400631 494447995 /nfs/dbraw/zinc/44/79/95/494447995.db2.gz BBCJSKQCDOKUQU-UHFFFAOYSA-N 0 1 364.461 3.204 20 10 FGCDMN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 ZINC000111235863 495052479 /nfs/dbraw/zinc/05/24/79/495052479.db2.gz WEIGATTYFRGCCG-HUUCEWRRSA-N 0 1 372.465 3.107 20 10 FGCDMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265577 495128537 /nfs/dbraw/zinc/12/85/37/495128537.db2.gz JOXKNQDQQLNASC-KBXCAEBGSA-N 0 1 373.884 3.325 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1[O-] ZINC000183146377 495853840 /nfs/dbraw/zinc/85/38/40/495853840.db2.gz FRZIDMIDQGEBOX-BXKMTCNYSA-N 0 1 365.882 3.458 20 10 FGCDMN 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3.452 20 10 FGCDMN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1c(F)ccc(O)c1O ZINC000789986122 723091438 /nfs/dbraw/zinc/09/14/38/723091438.db2.gz LHXKNZZCMIIXQU-UHFFFAOYSA-N 0 1 361.760 3.387 20 10 FGCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000792166324 723317114 /nfs/dbraw/zinc/31/71/14/723317114.db2.gz WQXVWWDIGYQNFZ-CYBMUJFWSA-N 0 1 353.781 3.019 20 10 FGCDMN CN1CCN(c2ccc(CNc3cc(C(F)(F)F)ccn3)cc2)CC1 ZINC000792686083 723356550 /nfs/dbraw/zinc/35/65/50/723356550.db2.gz RWZOWEJWUMLOCZ-UHFFFAOYSA-N 0 1 350.388 3.464 20 10 FGCDMN CCN(CC)c1ccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000793366097 723430726 /nfs/dbraw/zinc/43/07/26/723430726.db2.gz QKSSDBWQFZRLGA-HXUWFJFHSA-N 0 1 350.478 3.442 20 10 FGCDMN COc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c(O)c1 ZINC000794380453 723516758 /nfs/dbraw/zinc/51/67/58/723516758.db2.gz ZQTWMQGDJATUMF-UHFFFAOYSA-N 0 1 363.826 3.436 20 10 FGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767712171 723630617 /nfs/dbraw/zinc/63/06/17/723630617.db2.gz ORIMRULUNSVYBR-NSHDSACASA-N 0 1 359.775 3.404 20 10 FGCDMN Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000768149913 723648594 /nfs/dbraw/zinc/64/85/94/723648594.db2.gz GVMGINLRYMJPOP-UHFFFAOYSA-N 0 1 363.801 3.333 20 10 FGCDMN Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000768149913 723648595 /nfs/dbraw/zinc/64/85/95/723648595.db2.gz GVMGINLRYMJPOP-UHFFFAOYSA-N 0 1 363.801 3.333 20 10 FGCDMN Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000768939916 723672710 /nfs/dbraw/zinc/67/27/10/723672710.db2.gz FMOUHSKQQAROJX-NSHDSACASA-N 0 1 350.806 3.067 20 10 FGCDMN O=C(C[C@H]1CCCCO1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771057409 723726806 /nfs/dbraw/zinc/72/68/06/723726806.db2.gz JCAIDQVUEAVHOD-DLBZAZTESA-N 0 1 366.889 3.085 20 10 FGCDMN COc1c([O-])c(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774907980 723941466 /nfs/dbraw/zinc/94/14/66/723941466.db2.gz JGZODXUJBJCCDL-HNNXBMFYSA-N 0 1 350.415 3.233 20 10 FGCDMN CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1[O-] ZINC000775490297 723995217 /nfs/dbraw/zinc/99/52/17/723995217.db2.gz VPKKZAHSCMIDFU-FUHWJXTLSA-N 0 1 370.946 3.294 20 10 FGCDMN CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1[O-] ZINC000775490298 723995300 /nfs/dbraw/zinc/99/53/00/723995300.db2.gz VPKKZAHSCMIDFU-SJLPKXTDSA-N 0 1 370.946 3.294 20 10 FGCDMN CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])CC1 ZINC000775491247 723995607 /nfs/dbraw/zinc/99/56/07/723995607.db2.gz DNGPOZAMFNFWMD-INIZCTEOSA-N 0 1 374.934 3.291 20 10 FGCDMN CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000775521528 723997875 /nfs/dbraw/zinc/99/78/75/723997875.db2.gz YFKSMMDISFKSCP-NEPJUHHUSA-N 0 1 350.768 3.250 20 10 FGCDMN CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(Br)cc(C)c1O ZINC000775664730 724019238 /nfs/dbraw/zinc/01/92/38/724019238.db2.gz UVBWZECXVHJPFK-OAHLLOKOSA-N 0 1 369.303 3.296 20 10 FGCDMN COc1ccc(O)c(CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000775692611 724025995 /nfs/dbraw/zinc/02/59/95/724025995.db2.gz ZJKRVRRUUDBIMH-KBPBESRZSA-N 0 1 350.459 3.231 20 10 FGCDMN COc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805135294 725052258 /nfs/dbraw/zinc/05/22/58/725052258.db2.gz IHXYDBZPRSBMKP-UHFFFAOYSA-N 0 1 362.234 3.186 20 10 FGCDMN C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[N@H+]1C1CC1 ZINC000805191114 725055700 /nfs/dbraw/zinc/05/57/00/725055700.db2.gz ROKNPPPJSXUEOV-CABZTGNLSA-N 0 1 358.269 3.123 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000805204407 725056442 /nfs/dbraw/zinc/05/64/42/725056442.db2.gz SSHSPUOHVMBJML-IACUBPJLSA-N 0 1 359.253 3.456 20 10 FGCDMN CC(C)OC(=O)CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807114095 725153932 /nfs/dbraw/zinc/15/39/32/725153932.db2.gz JUGHUDNHHTVQPC-UHFFFAOYSA-N 0 1 363.241 3.230 20 10 FGCDMN O=C(Cc1ccc2c(c1)CCO2)NCc1cc(Cl)cc(Cl)c1O ZINC000807836384 725171446 /nfs/dbraw/zinc/17/14/46/725171446.db2.gz VRDLTZFEMLGGOI-UHFFFAOYSA-N 0 1 352.217 3.493 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1c1nccs1 ZINC000807837452 725171548 /nfs/dbraw/zinc/17/15/48/725171548.db2.gz QOCQXJOSVJJKOH-LBPRGKRZSA-N 0 1 372.277 3.441 20 10 FGCDMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808115390 725184699 /nfs/dbraw/zinc/18/46/99/725184699.db2.gz AMMARYOAISSVHH-UHFFFAOYSA-N 0 1 372.805 3.334 20 10 FGCDMN C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc(Br)ccc1[O-] ZINC000808729864 725215109 /nfs/dbraw/zinc/21/51/09/725215109.db2.gz QLTNXMQXNNHVDE-RMLVOYDJSA-N 0 1 364.239 3.300 20 10 FGCDMN C[C@@H](C[S@](C)=O)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639630 725255033 /nfs/dbraw/zinc/25/50/33/725255033.db2.gz MOGNNCPAKBKYID-GKVSMKOHSA-N 0 1 356.535 3.448 20 10 FGCDMN COC(=O)c1cc(CNCc2cc(Br)ccc2O)oc1C ZINC000809712879 725261600 /nfs/dbraw/zinc/26/16/00/725261600.db2.gz GGPVNEBNKDFTGD-UHFFFAOYSA-N 0 1 354.200 3.133 20 10 FGCDMN COc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])cc2c1OCO2 ZINC000809712205 725261644 /nfs/dbraw/zinc/26/16/44/725261644.db2.gz FUCVFXXIQMFRAX-UHFFFAOYSA-N 0 1 366.211 3.182 20 10 FGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000812782213 726811050 /nfs/dbraw/zinc/81/10/50/726811050.db2.gz RAJRUNNWBGVHQC-SFHVURJKSA-N 0 1 362.267 3.291 20 10 FGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000812782213 726811051 /nfs/dbraw/zinc/81/10/51/726811051.db2.gz RAJRUNNWBGVHQC-SFHVURJKSA-N 0 1 362.267 3.291 20 10 FGCDMN COc1ccc(OC)c2c1CN(Cc1cc(Cl)c(F)cc1O)C[C@@H]2O ZINC000816482854 727166678 /nfs/dbraw/zinc/16/66/78/727166678.db2.gz WBCUKSLMFOUZDY-HNNXBMFYSA-N 0 1 367.804 3.251 20 10 FGCDMN CCOCCCN1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816549014 727174278 /nfs/dbraw/zinc/17/42/78/727174278.db2.gz AGMYOWGENFFYLI-DYVFJYSZSA-N 0 1 358.885 3.411 20 10 FGCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816574925 727177058 /nfs/dbraw/zinc/17/70/58/727177058.db2.gz WVYYRDZLEFCLQA-AWEZNQCLSA-N 0 1 352.356 3.046 20 10 FGCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816574925 727177059 /nfs/dbraw/zinc/17/70/59/727177059.db2.gz WVYYRDZLEFCLQA-AWEZNQCLSA-N 0 1 352.356 3.046 20 10 FGCDMN CCOC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)c1cccc(O)c1 ZINC000816574328 727177064 /nfs/dbraw/zinc/17/70/64/727177064.db2.gz DFLNCWZERFBPBS-MRXNPFEDSA-N 0 1 353.777 3.284 20 10 FGCDMN Cc1cc(C(=O)Nc2c[nH]nn2)c(C)n1-c1ccccc1Br ZINC000819489541 727378880 /nfs/dbraw/zinc/37/88/80/727378880.db2.gz ZUYGTFZOFHGSLD-UHFFFAOYSA-N 0 1 360.215 3.227 20 10 FGCDMN COc1ccc(CN(CCO)Cc2cc(Cl)c(C)cc2O)c(OC)c1 ZINC000824801920 729359424 /nfs/dbraw/zinc/35/94/24/729359424.db2.gz GRKQMLPBAKKPLY-UHFFFAOYSA-N 0 1 365.857 3.366 20 10 FGCDMN CC[N@H+](Cc1cnn2c1CCC2)Cc1cc(Br)ccc1[O-] ZINC000824913502 729364736 /nfs/dbraw/zinc/36/47/36/729364736.db2.gz UUTUTLYLFHOCBV-UHFFFAOYSA-N 0 1 350.260 3.320 20 10 FGCDMN CC[N@@H+](Cc1cnn2c1CCC2)Cc1cc(Br)ccc1[O-] ZINC000824913502 729364739 /nfs/dbraw/zinc/36/47/39/729364739.db2.gz UUTUTLYLFHOCBV-UHFFFAOYSA-N 0 1 350.260 3.320 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000825489332 729384958 /nfs/dbraw/zinc/38/49/58/729384958.db2.gz IUKWWMCIGRBBIA-CYBMUJFWSA-N 0 1 370.287 3.172 20 10 FGCDMN Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825652843 729390637 /nfs/dbraw/zinc/39/06/37/729390637.db2.gz ZDCFBXMEGVJSNQ-INIZCTEOSA-N 0 1 350.256 3.156 20 10 FGCDMN COc1cc(CN2CCC[C@@H](S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825773581 729394833 /nfs/dbraw/zinc/39/48/33/729394833.db2.gz KNJNFXYXBPEVJZ-MRXNPFEDSA-N 0 1 369.527 3.097 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cc(Cl)ccc1[O-] ZINC000840796960 730175392 /nfs/dbraw/zinc/17/53/92/730175392.db2.gz ICBVKLFYYBHDKW-WBMJQRKESA-N 0 1 355.862 3.112 20 10 FGCDMN COc1cc(OC)cc([C@H](O)C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840899938 730189235 /nfs/dbraw/zinc/18/92/35/730189235.db2.gz QIQUAUUSWTWZJN-GOSISDBHSA-N 0 1 351.830 3.194 20 10 FGCDMN Cc1cc([O-])c(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c(Cl)c1 ZINC000840917861 730191271 /nfs/dbraw/zinc/19/12/71/730191271.db2.gz OWAVOEMXMOATIN-UHFFFAOYSA-N 0 1 358.869 3.373 20 10 FGCDMN Cc1ccc(Br)c(CNCc2cc3c(cc2O)OCO3)c1 ZINC000840962982 730198313 /nfs/dbraw/zinc/19/83/13/730198313.db2.gz HSEZVTHQXZUHHO-UHFFFAOYSA-N 0 1 350.212 3.482 20 10 FGCDMN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841753243 730270793 /nfs/dbraw/zinc/27/07/93/730270793.db2.gz YEBBEVVJBUZIOS-NSHDSACASA-N 0 1 374.915 3.045 20 10 FGCDMN CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(Br)ccc1[O-] ZINC000842921365 730556981 /nfs/dbraw/zinc/55/69/81/730556981.db2.gz XZDMHLSKACYFIG-PBHICJAKSA-N 0 1 372.303 3.373 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000843120771 730588543 /nfs/dbraw/zinc/58/85/43/730588543.db2.gz UHSOTEPIBNPFCA-INIZCTEOSA-N 0 1 362.271 3.005 20 10 FGCDMN CN(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC000844857599 730780921 /nfs/dbraw/zinc/78/09/21/730780921.db2.gz BQIRNNWHXGYQKG-INIZCTEOSA-N 0 1 365.836 3.287 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1cc(Br)ccc1[O-] ZINC000846207777 730936554 /nfs/dbraw/zinc/93/65/54/730936554.db2.gz FHGSRPKQAZWMKK-FZMZJTMJSA-N 0 1 355.276 3.064 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000847572606 731066526 /nfs/dbraw/zinc/06/65/26/731066526.db2.gz MOOYCBKPZLYNIT-LLVKDONJSA-N 0 1 366.259 3.105 20 10 FGCDMN OC[C@H](NCc1cc2c(cc1O)OCO2)c1cccc(Cl)c1Cl ZINC000850401861 731352656 /nfs/dbraw/zinc/35/26/56/731352656.db2.gz AZLIRQMQOJCUDL-LBPRGKRZSA-N 0 1 356.205 3.251 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000850560251 731373562 /nfs/dbraw/zinc/37/35/62/731373562.db2.gz CKMHMORMGZQWIX-SJCJKPOMSA-N 0 1 372.303 3.373 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)c1ccccn1 ZINC000851791987 731498781 /nfs/dbraw/zinc/49/87/81/731498781.db2.gz GNUQQKYQKPZLKB-INIZCTEOSA-N 0 1 351.244 3.105 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccccn1 ZINC000851791987 731498785 /nfs/dbraw/zinc/49/87/85/731498785.db2.gz GNUQQKYQKPZLKB-INIZCTEOSA-N 0 1 351.244 3.105 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccccn1 ZINC000851791987 731498788 /nfs/dbraw/zinc/49/87/88/731498788.db2.gz GNUQQKYQKPZLKB-INIZCTEOSA-N 0 1 351.244 3.105 20 10 FGCDMN Fc1cc(CN[C@H]2CCc3ccc(Cl)nc32)ccc1N1CCOCC1 ZINC000857903262 732167949 /nfs/dbraw/zinc/16/79/49/732167949.db2.gz ZKWHTOHGPRHCFR-INIZCTEOSA-N 0 1 361.848 3.488 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000858184809 732190236 /nfs/dbraw/zinc/19/02/36/732190236.db2.gz PCEIDLZIICVQBB-GOSISDBHSA-N 0 1 362.267 3.121 20 10 FGCDMN CC[C@H]([NH2+]CCN(C)CC(F)F)c1cc(Br)ccc1[O-] ZINC000858597098 732229915 /nfs/dbraw/zinc/22/99/15/732229915.db2.gz LDLYGZHOIUBGJK-LBPRGKRZSA-N 0 1 351.235 3.392 20 10 FGCDMN CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249466 732798338 /nfs/dbraw/zinc/79/83/38/732798338.db2.gz PXLQKSJRQOBWQL-NSHDSACASA-N 0 1 356.260 3.318 20 10 FGCDMN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249466 732798340 /nfs/dbraw/zinc/79/83/40/732798340.db2.gz PXLQKSJRQOBWQL-NSHDSACASA-N 0 1 356.260 3.318 20 10 FGCDMN O=C1CCCCN1C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862249526 732798826 /nfs/dbraw/zinc/79/88/26/732798826.db2.gz SKWVFHRFKRHYLB-UHFFFAOYSA-N 0 1 367.287 3.132 20 10 FGCDMN C[C@@H]1C[C@@]2(CCO1)CN(Cc1c(O)cccc1Br)C[C@H](C)O2 ZINC000862353319 732813859 /nfs/dbraw/zinc/81/38/59/732813859.db2.gz KNVZJZIELZMHFK-IGCXYCKISA-N 0 1 370.287 3.313 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)c1[O-] ZINC000877645547 736699591 /nfs/dbraw/zinc/69/95/91/736699591.db2.gz OOZGGDQPOKTRHE-HNNXBMFYSA-N 0 1 363.801 3.140 20 10 FGCDMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2O)N1 ZINC000877843331 736734986 /nfs/dbraw/zinc/73/49/86/736734986.db2.gz PLPZIBXFGJOYEQ-ZDUSSCGKSA-N 0 1 358.199 3.001 20 10 FGCDMN N[C@H](Cc1cc2ccccc2o1)C(=O)NCCCSc1nccs1 ZINC000884137982 737637008 /nfs/dbraw/zinc/63/70/08/737637008.db2.gz AFNARZDLLRPUKZ-CQSZACIVSA-N 0 1 361.492 3.058 20 10 FGCDMN CN1CCN(c2ccc(CNC(=O)c3cscc3C(F)F)cc2)CC1 ZINC000893606871 742176500 /nfs/dbraw/zinc/17/65/00/742176500.db2.gz AVDKIVZXRCMENH-UHFFFAOYSA-N 0 1 365.449 3.368 20 10 FGCDMN COC(=O)c1c(CN2CC[C@@]3(CC3(F)F)C2)c2cc(F)ccc2n1C ZINC000895149490 742381397 /nfs/dbraw/zinc/38/13/97/742381397.db2.gz ISEURZBSOLIUMR-QGZVFWFLSA-N 0 1 352.356 3.335 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000895536258 742423690 /nfs/dbraw/zinc/42/36/90/742423690.db2.gz IIJHRBVEMPJZMW-HNNXBMFYSA-N 0 1 370.287 3.220 20 10 FGCDMN CCn1cnc2c1CCN(Cc1cc(Br)cc(F)c1O)C2 ZINC000897333085 742669524 /nfs/dbraw/zinc/66/95/24/742669524.db2.gz ADZXMVDBRCTYIA-UHFFFAOYSA-N 0 1 354.223 3.069 20 10 FGCDMN Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386968 494389042 /nfs/dbraw/zinc/38/90/42/494389042.db2.gz NXPVPKBPBLBZOZ-GOSISDBHSA-N 0 1 367.493 3.291 20 10 FGCDMN COc1cc(Br)cc(CN2CCC(n3cccn3)CC2)c1O ZINC000092617695 494687881 /nfs/dbraw/zinc/68/78/81/494687881.db2.gz WZJHYGOWNCEOBW-UHFFFAOYSA-N 0 1 366.259 3.197 20 10 FGCDMN Cc1noc([C@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000091832133 494697679 /nfs/dbraw/zinc/69/76/79/494697679.db2.gz SPHDCDCBOIZTIU-NSHDSACASA-N 0 1 352.232 3.226 20 10 FGCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000091832133 494697685 /nfs/dbraw/zinc/69/76/85/494697685.db2.gz SPHDCDCBOIZTIU-NSHDSACASA-N 0 1 352.232 3.226 20 10 FGCDMN COc1cccc([C@@H]2CCCN2C(=O)CN(C)Cc2ccccc2O)c1 ZINC000109772011 494916760 /nfs/dbraw/zinc/91/67/60/494916760.db2.gz NXJVZASXAAULNA-IBGZPJMESA-N 0 1 354.450 3.196 20 10 FGCDMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)Cc1ccccc1O ZINC000111235873 495052362 /nfs/dbraw/zinc/05/23/62/495052362.db2.gz LKJZSZXZHLPZPT-INIZCTEOSA-N 0 1 353.466 3.451 20 10 FGCDMN CCOc1cccc(CN2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000128934578 495171057 /nfs/dbraw/zinc/17/10/57/495171057.db2.gz DKQLTIYKUYLROP-UHFFFAOYSA-N 0 1 372.440 3.278 20 10 FGCDMN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000160530696 495984921 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CC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cc(Br)ccc1[O-] ZINC000279409404 497431522 /nfs/dbraw/zinc/43/15/22/497431522.db2.gz DRATYNMIJZJMAW-OAHLLOKOSA-N 0 1 365.271 3.403 20 10 FGCDMN FC(F)Oc1ccc(N2CCC[C@@H](Nc3ncnc4[nH]cnc43)C2)cc1 ZINC000301476085 498127708 /nfs/dbraw/zinc/12/77/08/498127708.db2.gz SRXMKTYJOWHXRS-LLVKDONJSA-N 0 1 360.368 3.035 20 10 FGCDMN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3n[nH]c(C)n3)c2C)cc1 ZINC000286277597 498347426 /nfs/dbraw/zinc/34/74/26/498347426.db2.gz GQTXERWBDWQVLK-GFCCVEGCSA-N 0 1 353.426 3.020 20 10 FGCDMN CCN(CC)c1ccc(CNCc2cnc(C3OCCO3)s2)cc1F ZINC000290556334 498596457 /nfs/dbraw/zinc/59/64/57/498596457.db2.gz ZIZFWDRNULQXFT-UHFFFAOYSA-N 0 1 365.474 3.464 20 10 FGCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000294124173 498596516 /nfs/dbraw/zinc/59/65/16/498596516.db2.gz GMZIQVUYKVMCAM-WBMJQRKESA-N 0 1 355.793 3.102 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1[O-] ZINC000282976894 498732250 /nfs/dbraw/zinc/73/22/50/498732250.db2.gz 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O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000742393554 722556860 /nfs/dbraw/zinc/55/68/60/722556860.db2.gz YLPOZXUGVGLNDF-RCCFBDPRSA-N 0 1 356.853 3.292 20 10 FGCDMN C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)cc1[O-] ZINC000756396228 722963925 /nfs/dbraw/zinc/96/39/25/722963925.db2.gz IEDPKPFKEIKVBB-OCCSQVGLSA-N 0 1 366.255 3.245 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1[O-] ZINC000756501303 722965744 /nfs/dbraw/zinc/96/57/44/722965744.db2.gz DATSPHPODBHCMW-KOLCDFICSA-N 0 1 367.209 3.442 20 10 FGCDMN CCOC(=O)N(C)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761194325 723132096 /nfs/dbraw/zinc/13/20/96/723132096.db2.gz YQYPACDJCIYTMU-UHFFFAOYSA-N 0 1 356.850 3.107 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000790409689 723136639 /nfs/dbraw/zinc/13/66/39/723136639.db2.gz UNSMLCQGEYGDAZ-UHFFFAOYSA-N 0 1 366.395 3.117 20 10 FGCDMN CCS(=O)(=O)c1c(Cl)cccc1CNCc1ccc(OC)cc1O ZINC000793387308 723432669 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Cn1nccc1[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000768940441 723672691 /nfs/dbraw/zinc/67/26/91/723672691.db2.gz JRBXPTNQTYRERV-LBPRGKRZSA-N 0 1 350.260 3.268 20 10 FGCDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n[nH]1 ZINC000773136126 723777425 /nfs/dbraw/zinc/77/74/25/723777425.db2.gz FSMNAVRPNNIUDN-STQMWFEESA-N 0 1 363.893 3.269 20 10 FGCDMN COc1c([O-])c(C[NH2+]Cc2cc(Br)cs2)ccc1[N+](=O)[O-] ZINC000774978800 723947297 /nfs/dbraw/zinc/94/72/97/723947297.db2.gz MXXHLPWBWMRWMR-UHFFFAOYSA-N 0 1 373.228 3.423 20 10 FGCDMN C[C@@H]1COCCN1Cc1cc(Br)cc(Br)c1O ZINC000775183433 723969329 /nfs/dbraw/zinc/96/93/29/723969329.db2.gz XSBQPIFWPMBYMK-MRVPVSSYSA-N 0 1 365.065 3.138 20 10 FGCDMN COc1cncc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1 ZINC000799184547 723996077 /nfs/dbraw/zinc/99/60/77/723996077.db2.gz QXSWFHUPHLQIBR-UHFFFAOYSA-N 0 1 361.467 3.271 20 10 FGCDMN CC[C@H]([NH2+]CCN1CCOCC1(C)C)c1cc(Br)ccc1[O-] ZINC000775498044 723996498 /nfs/dbraw/zinc/99/64/98/723996498.db2.gz 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356.260 3.022 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000883040538 737514656 /nfs/dbraw/zinc/51/46/56/737514656.db2.gz FZLJAHVAXBEPRU-LLVKDONJSA-N 0 1 356.651 3.178 20 10 FGCDMN O=C1CCC2=C(CC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)N1 ZINC000895224952 742388463 /nfs/dbraw/zinc/38/84/63/742388463.db2.gz NFEIFPODVYCNQH-UHFFFAOYSA-N 0 1 371.662 3.178 20 10 FGCDMN OCC1(C(F)(F)F)CCN(Cc2cc(Br)ccc2O)CC1 ZINC000897035887 742634621 /nfs/dbraw/zinc/63/46/21/742634621.db2.gz YQBUCTZWHCSVQR-UHFFFAOYSA-N 0 1 368.193 3.292 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(Br)cc1[O-] ZINC000903391271 743843739 /nfs/dbraw/zinc/84/37/39/743843739.db2.gz XFPDKTJSFHSEBV-ABAIWWIYSA-N 0 1 356.260 3.143 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000927105176 759892879 /nfs/dbraw/zinc/89/28/79/759892879.db2.gz QNMCIMKPLGPCHX-SWLSCSKDSA-N 0 1 369.303 3.059 20 10 FGCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000073021399 494306967 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FGCDMN COc1c([O-])c(C[NH+]2CCC(c3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000278437558 497114382 /nfs/dbraw/zinc/11/43/82/497114382.db2.gz VERCCDFLAODJKO-UHFFFAOYSA-N 0 1 363.439 3.454 20 10 FGCDMN CCS(=O)(=O)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000278721439 497201093 /nfs/dbraw/zinc/20/10/93/497201093.db2.gz PSKGLRSXTSEUEB-UHFFFAOYSA-N 0 1 359.491 3.458 20 10 FGCDMN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000279132006 497343696 /nfs/dbraw/zinc/34/36/96/497343696.db2.gz RBBBPDADAJSEAE-JTQLQIEISA-N 0 1 364.243 3.359 20 10 FGCDMN CC[C@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cc(Br)ccc1[O-] ZINC000279409401 497431722 /nfs/dbraw/zinc/43/17/22/497431722.db2.gz DRATYNMIJZJMAW-HNNXBMFYSA-N 0 1 365.271 3.403 20 10 FGCDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCOc3cc(N(C)C)ccc31)C2 ZINC000364772222 498136010 /nfs/dbraw/zinc/13/60/10/498136010.db2.gz RRWRRISSVPTGPD-AWEZNQCLSA-N 0 1 368.481 3.130 20 10 FGCDMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000297551901 498490322 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20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@]2(C)CCCO2)C1 ZINC000435821655 501034067 /nfs/dbraw/zinc/03/40/67/501034067.db2.gz GYFSRNKFIZAMFX-JOCHJYFZSA-N 0 1 369.509 3.093 20 10 FGCDMN CCN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)[C@H]1CCOC1 ZINC000462978133 502648104 /nfs/dbraw/zinc/64/81/04/502648104.db2.gz IRKGEZPRBGMJGJ-KRWDZBQOSA-N 0 1 369.509 3.045 20 10 FGCDMN Cc1c2ccccc2n(C)c1CNCCS(=O)(=O)c1ccc(F)cc1 ZINC000520798893 504585350 /nfs/dbraw/zinc/58/53/50/504585350.db2.gz AAJVRYMQMQSWQA-UHFFFAOYSA-N 0 1 360.454 3.189 20 10 FGCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)C[C@H]3C(C)C)ccc21 ZINC000606339697 507368279 /nfs/dbraw/zinc/36/82/79/507368279.db2.gz BCDDAWRPJUIWKX-NRFANRHFSA-N 0 1 371.525 3.317 20 10 FGCDMN COc1ccc(N2CCC[N@H+]([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000738020431 599712029 /nfs/dbraw/zinc/71/20/29/599712029.db2.gz DMZRIYXFMCHILT-LJQANCHMSA-N 0 1 358.413 3.172 20 10 FGCDMN COc1ccc(O)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000833733850 605247309 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Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cc(Br)ccc2[O-])n1 ZINC000374256224 713908465 /nfs/dbraw/zinc/90/84/65/713908465.db2.gz MPLKPKLIFDRWFD-OAHLLOKOSA-N 0 1 365.275 3.028 20 10 FGCDMN CN(CC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000779597407 724418887 /nfs/dbraw/zinc/41/88/87/724418887.db2.gz SRZQIYMYMHHMHP-UHFFFAOYSA-N 0 1 373.837 3.253 20 10 FGCDMN C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@@H](C(F)(F)F)O1 ZINC000769494927 723687292 /nfs/dbraw/zinc/68/72/92/723687292.db2.gz BOAGTVDKIDDQMD-KCJUWKMLSA-N 0 1 354.166 3.306 20 10 FGCDMN CN(C)Cc1ccsc1C(=O)NCc1cc(Br)ccc1O ZINC000804739252 724548524 /nfs/dbraw/zinc/54/85/24/724548524.db2.gz CGFCXSKYXCWYIL-UHFFFAOYSA-N 0 1 369.284 3.208 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000781907779 724610747 /nfs/dbraw/zinc/61/07/47/724610747.db2.gz IOGDVQIIYKHLKW-ZIAGYGMSSA-N 0 1 358.301 3.169 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000781909922 724611427 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CCCCCSC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000758232256 722986683 /nfs/dbraw/zinc/98/66/83/722986683.db2.gz QSBGJMPUJBCQRZ-GOSISDBHSA-N 0 1 352.544 3.102 20 10 FGCDMN COCCC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000759959627 723031051 /nfs/dbraw/zinc/03/10/51/723031051.db2.gz WYMNTNMSUIEXKJ-INIZCTEOSA-N 0 1 368.905 3.189 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000790410930 723136697 /nfs/dbraw/zinc/13/66/97/723136697.db2.gz FWSCTSIOSWPRSQ-UHFFFAOYSA-N 0 1 366.395 3.062 20 10 FGCDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000762000908 723205217 /nfs/dbraw/zinc/20/52/17/723205217.db2.gz RICIYQBGEPBXJP-UHFFFAOYSA-N 0 1 366.395 3.197 20 10 FGCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000792167326 723317249 /nfs/dbraw/zinc/31/72/49/723317249.db2.gz NFPFASKWZZIUOJ-MJBXVCDLSA-N 0 1 356.869 3.258 20 10 FGCDMN CC[C@H](C)[C@@H](OC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000793689961 723461142 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CCCCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915060 723672138 /nfs/dbraw/zinc/67/21/38/723672138.db2.gz INKSUVAMYQDZIP-RHSMWYFYSA-N 0 1 368.905 3.331 20 10 FGCDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769498228 723687331 /nfs/dbraw/zinc/68/73/31/723687331.db2.gz SFWHZCXAQPQWLW-CABCVRRESA-N 0 1 369.849 3.175 20 10 FGCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])[C@H](CC)CN1C(C)=O ZINC000769499206 723687502 /nfs/dbraw/zinc/68/75/02/723687502.db2.gz OSKRZCMINRZAII-HUUCEWRRSA-N 0 1 369.303 3.376 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)Cc1cnc(OC)nc1C ZINC000799125075 723989582 /nfs/dbraw/zinc/98/95/82/723989582.db2.gz FAPFGONKNBYWEQ-UHFFFAOYSA-N 0 1 366.259 3.284 20 10 FGCDMN C[C@H](CS(C)(=O)=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800493662 724202850 /nfs/dbraw/zinc/20/28/50/724202850.db2.gz PFYGRTIFXHGFHM-ZIAGYGMSSA-N 0 1 358.935 3.099 20 10 FGCDMN C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000800503828 724204296 /nfs/dbraw/zinc/20/42/96/724204296.db2.gz GIUYWQGZADXRAP-AWEZNQCLSA-N 0 1 367.898 3.354 20 10 FGCDMN CCN(CC)c1ccc(CNCc2ccc(S(C)(=O)=O)s2)cc1F ZINC000786825926 725002131 /nfs/dbraw/zinc/00/21/31/725002131.db2.gz BRSAIMSQTPEVGV-UHFFFAOYSA-N 0 1 370.515 3.427 20 10 FGCDMN O=C(NCc1cnn2ccccc12)NCc1cc(Cl)cc(Cl)c1O ZINC000805780071 725095128 /nfs/dbraw/zinc/09/51/28/725095128.db2.gz GPUQTIUOJZABAT-UHFFFAOYSA-N 0 1 365.220 3.346 20 10 FGCDMN C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000807416387 725160989 /nfs/dbraw/zinc/16/09/89/725160989.db2.gz DEJGOXGAPBDSBT-CYBMUJFWSA-N 0 1 355.276 3.035 20 10 FGCDMN C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000807416387 725160990 /nfs/dbraw/zinc/16/09/90/725160990.db2.gz DEJGOXGAPBDSBT-CYBMUJFWSA-N 0 1 355.276 3.035 20 10 FGCDMN CCC[C@H](C)N1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000807837322 725171668 /nfs/dbraw/zinc/17/16/68/725171668.db2.gz LMFFVOIGOPWVCU-CMPLNLGQSA-N 0 1 373.280 3.352 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc(C(F)(F)F)nc1 ZINC000807837834 725171794 /nfs/dbraw/zinc/17/17/94/725171794.db2.gz DWGPOIUSJFWNNX-UHFFFAOYSA-N 0 1 366.126 3.438 20 10 FGCDMN NC(=O)Nc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807840277 725172227 /nfs/dbraw/zinc/17/22/27/725172227.db2.gz WMTWAERGTHBROI-UHFFFAOYSA-N 0 1 354.193 3.120 20 10 FGCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cc(F)c(F)c(F)c1 ZINC000808113718 725184146 /nfs/dbraw/zinc/18/41/46/725184146.db2.gz HHOAVWQOGGABEB-UHFFFAOYSA-N 0 1 355.696 3.403 20 10 FGCDMN Cc1nc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115536 725184616 /nfs/dbraw/zinc/18/46/16/725184616.db2.gz HYGQVSPQHKQENU-UHFFFAOYSA-N 0 1 351.186 3.342 20 10 FGCDMN [NH3+]CCN(Cc1cccc(Br)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000809728357 725263291 /nfs/dbraw/zinc/26/32/91/725263291.db2.gz UMCQXUGKFJDGNE-UHFFFAOYSA-N 0 1 366.215 3.028 20 10 FGCDMN CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207938 725296798 /nfs/dbraw/zinc/29/67/98/725296798.db2.gz QWXLFOHIVLQIBB-ZDUSSCGKSA-N 0 1 356.344 3.475 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227696 725298203 /nfs/dbraw/zinc/29/82/03/725298203.db2.gz ZVNSLAWENQORBV-FDEJFUCISA-N 0 1 356.388 3.461 20 10 FGCDMN CN(C)c1cccnc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811934062 725385182 /nfs/dbraw/zinc/38/51/82/725385182.db2.gz QYAWHHGTOJCXSH-UHFFFAOYSA-N 0 1 369.252 3.159 20 10 FGCDMN Cn1c(=O)c(C[NH2+]Cc2cc(Br)ccc2[O-])cc2ccccc21 ZINC000813790243 726914694 /nfs/dbraw/zinc/91/46/94/726914694.db2.gz KYELHBLIORZHLH-UHFFFAOYSA-N 0 1 373.250 3.296 20 10 FGCDMN Oc1cc(F)c(Cl)cc1CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000816512080 727170136 /nfs/dbraw/zinc/17/01/36/727170136.db2.gz WYKDBBLFFYYJGR-UHFFFAOYSA-N 0 1 358.738 3.203 20 10 FGCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816608343 727180161 /nfs/dbraw/zinc/18/01/61/727180161.db2.gz WWVNFNCONPWFFT-CYBMUJFWSA-N 0 1 355.715 3.112 20 10 FGCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816608344 727180211 /nfs/dbraw/zinc/18/02/11/727180211.db2.gz WWVNFNCONPWFFT-ZDUSSCGKSA-N 0 1 355.715 3.112 20 10 FGCDMN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)cc1 ZINC000819581837 727383459 /nfs/dbraw/zinc/38/34/59/727383459.db2.gz BAEUEVDVPCVKKY-ZDUSSCGKSA-N 0 1 360.841 3.311 20 10 FGCDMN Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c(N(C)C)nn1 ZINC000824521487 729345137 /nfs/dbraw/zinc/34/51/37/729345137.db2.gz GGWFVICOWYVZQO-UHFFFAOYSA-N 0 1 370.240 3.185 20 10 FGCDMN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825197105 729374272 /nfs/dbraw/zinc/37/42/72/729374272.db2.gz GIMIQJZPXITACO-GFCCVEGCSA-N 0 1 368.886 3.113 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000825298305 729377598 /nfs/dbraw/zinc/37/75/98/729377598.db2.gz YPZQIPMFABJYJS-CQSZACIVSA-N 0 1 350.256 3.411 20 10 FGCDMN CC1([C@H]2CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)OCCO1 ZINC000825501148 729385547 /nfs/dbraw/zinc/38/55/47/729385547.db2.gz LKVMWELQKMEGAN-ZDUSSCGKSA-N 0 1 356.260 3.130 20 10 FGCDMN CC1([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)OCCO1 ZINC000825501148 729385549 /nfs/dbraw/zinc/38/55/49/729385549.db2.gz LKVMWELQKMEGAN-ZDUSSCGKSA-N 0 1 356.260 3.130 20 10 FGCDMN Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825651829 729390413 /nfs/dbraw/zinc/39/04/13/729390413.db2.gz MBESPJUWFCLEHJ-INIZCTEOSA-N 0 1 350.256 3.156 20 10 FGCDMN CC(C)[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])c1ccnn1C ZINC000825666472 729390712 /nfs/dbraw/zinc/39/07/12/729390712.db2.gz KRRIIUXYTRWPAC-CQSZACIVSA-N 0 1 352.276 3.418 20 10 FGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000825685652 729391443 /nfs/dbraw/zinc/39/14/43/729391443.db2.gz ICULYXFJKBJHEA-QGZVFWFLSA-N 0 1 362.832 3.384 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000825710408 729392337 /nfs/dbraw/zinc/39/23/37/729392337.db2.gz OSGZUIWJNHRHQS-UHFFFAOYSA-N 0 1 360.145 3.161 20 10 FGCDMN C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825893140 729398747 /nfs/dbraw/zinc/39/87/47/729398747.db2.gz QBZCDKGPUVQFNG-NRFANRHFSA-N 0 1 368.296 3.323 20 10 FGCDMN CCOC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000830544978 729570084 /nfs/dbraw/zinc/57/00/84/729570084.db2.gz VBFLZVMLYSACSL-MRXNPFEDSA-N 0 1 366.889 3.085 20 10 FGCDMN CC[C@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834827515 729837149 /nfs/dbraw/zinc/83/71/49/729837149.db2.gz KIDQTTHGMLYHSF-FZMZJTMJSA-N 0 1 354.237 3.361 20 10 FGCDMN C[C@@H]1C[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000834836108 729838097 /nfs/dbraw/zinc/83/80/97/729838097.db2.gz LJRFVLJYELZVHE-XZNOPERXSA-N 0 1 355.475 3.273 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1[O-] ZINC000841757650 730271212 /nfs/dbraw/zinc/27/12/12/730271212.db2.gz OGXFGKJRAOECGV-GXTWGEPZSA-N 0 1 370.877 3.332 20 10 FGCDMN CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(Br)ccc1[O-] ZINC000842921367 730557110 /nfs/dbraw/zinc/55/71/10/730557110.db2.gz XZDMHLSKACYFIG-WMLDXEAASA-N 0 1 372.303 3.373 20 10 FGCDMN C[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccccc1 ZINC000845082258 730808357 /nfs/dbraw/zinc/80/83/57/730808357.db2.gz VZRSBDNHCNTRAL-AEFFLSMTSA-N 0 1 359.857 3.290 20 10 FGCDMN C[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccccc1 ZINC000845082260 730808370 /nfs/dbraw/zinc/80/83/70/730808370.db2.gz VZRSBDNHCNTRAL-SJLPKXTDSA-N 0 1 359.857 3.290 20 10 FGCDMN C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846054821 730923939 /nfs/dbraw/zinc/92/39/39/730923939.db2.gz HCAUSPBAPMROJU-CYBMUJFWSA-N 0 1 362.857 3.482 20 10 FGCDMN O=C(Cc1cn2c(n1)CCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000846161214 730932665 /nfs/dbraw/zinc/93/26/65/730932665.db2.gz WLCKDBVAYWTSCA-UHFFFAOYSA-N 0 1 354.237 3.091 20 10 FGCDMN COc1cc(Br)cc([C@H](C)N[C@@H]2CCn3ccnc32)c1O ZINC000848553387 731180657 /nfs/dbraw/zinc/18/06/57/731180657.db2.gz LEYAFQZWTJGTPP-JOYOIKCWSA-N 0 1 352.232 3.155 20 10 FGCDMN C[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000848557978 731181321 /nfs/dbraw/zinc/18/13/21/731181321.db2.gz MGRAFYFWGFKBMS-FQUUOJAGSA-N 0 1 371.319 3.303 20 10 FGCDMN Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000850391285 731351333 /nfs/dbraw/zinc/35/13/33/731351333.db2.gz LFBAVEAISBISGE-UHFFFAOYSA-N 0 1 350.260 3.446 20 10 FGCDMN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000852469211 731587866 /nfs/dbraw/zinc/58/78/66/731587866.db2.gz UMKULLOWQNAWLS-GFCCVEGCSA-N 0 1 360.285 3.371 20 10 FGCDMN COc1cc(CCC[NH2+]Cc2cc(Cl)ccc2[O-])cc(OC)c1O ZINC000856811517 732063696 /nfs/dbraw/zinc/06/36/96/732063696.db2.gz AXOYPILVJRMWMB-UHFFFAOYSA-N 0 1 351.830 3.491 20 10 FGCDMN COc1cccc(CNCc2c(O)cccc2Br)c1OC ZINC000858100660 732180658 /nfs/dbraw/zinc/18/06/58/732180658.db2.gz LVNKMXIMJWEBLL-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN O=c1nc(Cl)cc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000858405697 732211508 /nfs/dbraw/zinc/21/15/08/732211508.db2.gz NLBLLWORQLXGFN-LBPRGKRZSA-N 0 1 369.252 3.271 20 10 FGCDMN C[C@@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c2c1c(F)ccc2[O-] ZINC000872118663 735591511 /nfs/dbraw/zinc/59/15/11/735591511.db2.gz FGXQZCBZQYBPSZ-JBMNRGHBSA-N 0 1 353.459 3.025 20 10 FGCDMN COCCc1ncc(C[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000877520800 736677658 /nfs/dbraw/zinc/67/76/58/736677658.db2.gz IEZMXYINTJOKAW-UHFFFAOYSA-N 0 1 357.273 3.090 20 10 FGCDMN COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(Br)cc2[O-])c1 ZINC000894501714 742292827 /nfs/dbraw/zinc/29/28/27/742292827.db2.gz FNVFKRSIJGCQFV-VIFPVBQESA-N 0 1 353.216 3.115 20 10 FGCDMN C[C@H]1Cc2cc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)ccc2O1 ZINC000899261030 742901508 /nfs/dbraw/zinc/90/15/08/742901508.db2.gz XNAOCDGNSSASRX-OOIIIRTPSA-N 0 1 374.531 3.305 20 10 FGCDMN CC[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1[O-] ZINC000903211873 743823058 /nfs/dbraw/zinc/82/30/58/743823058.db2.gz FLKDZKFZOBMGPI-RISCZKNCSA-N 0 1 355.276 3.064 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000903424241 743848458 /nfs/dbraw/zinc/84/84/58/743848458.db2.gz OYRVFPVNXKPLOV-GFCCVEGCSA-N 0 1 368.886 3.292 20 10 FGCDMN COc1ccc(Cl)cc1NC(=S)NCc1cc(N(C)C)ccn1 ZINC000905617640 744037086 /nfs/dbraw/zinc/03/70/86/744037086.db2.gz HGFCTCXUNVNCAH-UHFFFAOYSA-N 0 1 350.875 3.296 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ccon2)C1 ZINC000577343180 505708534 /nfs/dbraw/zinc/70/85/34/505708534.db2.gz NGUFSGFFBALIKJ-HNNXBMFYSA-N 0 1 366.465 3.273 20 10 FGCDMN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N(C)Cc1ccccc1O ZINC000109770670 494916438 /nfs/dbraw/zinc/91/64/38/494916438.db2.gz RBDPLBUCIWIYAL-AWEZNQCLSA-N 0 1 356.422 3.013 20 10 FGCDMN COc1cccc([C@H]2CCCN2C(=O)CN(C)Cc2ccccc2O)c1 ZINC000109772008 494916883 /nfs/dbraw/zinc/91/68/83/494916883.db2.gz NXJVZASXAAULNA-LJQANCHMSA-N 0 1 354.450 3.196 20 10 FGCDMN COc1cc(O)c(CN(C)Cc2ccc(Br)o2)cc1OC ZINC000158879467 495607319 /nfs/dbraw/zinc/60/73/19/495607319.db2.gz DIEYNNMQXYWAEY-UHFFFAOYSA-N 0 1 356.216 3.397 20 10 FGCDMN CN(Cc1cn(C)nc1C(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000179617226 495663245 /nfs/dbraw/zinc/66/32/45/495663245.db2.gz FFWYEUYQOVCVDE-UHFFFAOYSA-N 0 1 356.514 3.186 20 10 FGCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCOC2(CCOCC2)C1 ZINC000183122431 495843839 /nfs/dbraw/zinc/84/38/39/495843839.db2.gz NURRNUSFWMXCRT-UHFFFAOYSA-N 0 1 369.461 3.353 20 10 FGCDMN CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000187722474 496546676 /nfs/dbraw/zinc/54/66/76/496546676.db2.gz ZPXICJMOWZXGQR-JKIFEVAISA-N 0 1 356.457 3.458 20 10 FGCDMN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185007041 496619114 /nfs/dbraw/zinc/61/91/14/496619114.db2.gz ACJZVIMKDNWBDH-INIZCTEOSA-N 0 1 369.509 3.187 20 10 FGCDMN CC(=O)NC1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000273611045 496852946 /nfs/dbraw/zinc/85/29/46/496852946.db2.gz VWBFAGNLXUCBDH-FNBIGBAISA-N 0 1 355.276 3.253 20 10 FGCDMN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1 ZINC000269309926 496916300 /nfs/dbraw/zinc/91/63/00/496916300.db2.gz JGPQTIZTESMPSN-CQSZACIVSA-N 0 1 355.486 3.089 20 10 FGCDMN O=C(c1cccc2n[nH]cc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269774873 497002149 /nfs/dbraw/zinc/00/21/49/497002149.db2.gz CQARXESIDOFTOL-HNNXBMFYSA-N 0 1 351.406 3.090 20 10 FGCDMN COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(C)o1 ZINC000278499324 497134732 /nfs/dbraw/zinc/13/47/32/497134732.db2.gz NGDXTEMRQOUNKW-ZDUSSCGKSA-N 0 1 350.371 3.078 20 10 FGCDMN COc1c([O-])c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278938321 497273646 /nfs/dbraw/zinc/27/36/46/497273646.db2.gz XHSBPLONIMFVRX-DLBZAZTESA-N 0 1 358.394 3.319 20 10 FGCDMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856253 497831894 /nfs/dbraw/zinc/83/18/94/497831894.db2.gz BONKDQHBZACGQH-WMQCIHAUSA-N 0 1 372.509 3.075 20 10 FGCDMN CC(=O)Nc1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000280728369 497874484 /nfs/dbraw/zinc/87/44/84/497874484.db2.gz 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PEYCTBZIYSPCCH-OAHLLOKOSA-N 0 1 353.821 3.194 20 10 FGCDMN Cc1ccc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)c(O)c1O ZINC000819678233 727387820 /nfs/dbraw/zinc/38/78/20/727387820.db2.gz KQRKQXAIEYLMKD-UHFFFAOYSA-N 0 1 361.467 3.272 20 10 FGCDMN CN(C)c1ccc(CN2CCC[C@H](n3ccnn3)C2)c(C(F)(F)F)c1 ZINC000822503387 729183235 /nfs/dbraw/zinc/18/32/35/729183235.db2.gz HZWJNSOKUZBIRH-HNNXBMFYSA-N 0 1 353.392 3.200 20 10 FGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824636102 729352120 /nfs/dbraw/zinc/35/21/20/729352120.db2.gz LUTZRTJEJIWGCY-MAUKXSAKSA-N 0 1 353.796 3.485 20 10 FGCDMN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650479 729352891 /nfs/dbraw/zinc/35/28/91/729352891.db2.gz QLFFAMZAILEVOG-ZDUSSCGKSA-N 0 1 369.303 3.283 20 10 FGCDMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650479 729352893 /nfs/dbraw/zinc/35/28/93/729352893.db2.gz QLFFAMZAILEVOG-ZDUSSCGKSA-N 0 1 369.303 3.283 20 10 FGCDMN COc1cc(Br)cc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)c1O ZINC000825331691 729379033 /nfs/dbraw/zinc/37/90/33/729379033.db2.gz LSYLUWMTPZOKME-OLZOCXBDSA-N 0 1 356.260 3.020 20 10 FGCDMN COc1ccc(COCC[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825405981 729382082 /nfs/dbraw/zinc/38/20/82/729382082.db2.gz MUJHIDWECNPOTK-UHFFFAOYSA-N 0 1 366.255 3.470 20 10 FGCDMN Cc1cc(O)c(CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc1Cl ZINC000825525390 729386739 /nfs/dbraw/zinc/38/67/39/729386739.db2.gz DNYMNUGWYKAZAO-INIZCTEOSA-N 0 1 353.871 3.230 20 10 FGCDMN Cc1cc(N2CCSCC2)ccc1NC(=O)c1c(F)ccc(O)c1O ZINC000825653043 729390595 /nfs/dbraw/zinc/39/05/95/729390595.db2.gz WGUJSZOIVBLCSD-UHFFFAOYSA-N 0 1 362.426 3.351 20 10 FGCDMN COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826894688 729418152 /nfs/dbraw/zinc/41/81/52/729418152.db2.gz UCYNSBXTUYVIEC-ZJUUUORDSA-N 0 1 369.742 3.358 20 10 FGCDMN CC(=O)c1cc(F)cc(CN2CCC(OCCOC(C)C)CC2)c1O ZINC000832487907 729716276 /nfs/dbraw/zinc/71/62/76/729716276.db2.gz BJRAQVFUDQEKEA-UHFFFAOYSA-N 0 1 353.434 3.140 20 10 FGCDMN COCCN(Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(C)c1O ZINC000835074045 729856746 /nfs/dbraw/zinc/85/67/46/729856746.db2.gz FYEZWNZCMPDQDP-UHFFFAOYSA-N 0 1 351.878 3.353 20 10 FGCDMN Cc1cc(O)c(CNCc2ccncc2OC[C@@H]2CCOC2)c(Cl)c1 ZINC000840945471 730195074 /nfs/dbraw/zinc/19/50/74/730195074.db2.gz OXUXXZWBKICKMI-CQSZACIVSA-N 0 1 362.857 3.454 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1[O-] ZINC000841758535 730271258 /nfs/dbraw/zinc/27/12/58/730271258.db2.gz SSARJWNHFAIKQZ-NWDGAFQWSA-N 0 1 351.855 3.267 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)ccc1[O-] ZINC000841761365 730271511 /nfs/dbraw/zinc/27/15/11/730271511.db2.gz JJIYDDPOVUYUFC-LBPRGKRZSA-N 0 1 372.303 3.373 20 10 FGCDMN CN(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1cccs1 ZINC000844282087 730698207 /nfs/dbraw/zinc/69/82/07/730698207.db2.gz SIJLLHOHCZAETQ-CYBMUJFWSA-N 0 1 353.875 3.209 20 10 FGCDMN Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000846107104 730929469 /nfs/dbraw/zinc/92/94/69/730929469.db2.gz HGFQAEFBTYVXDM-CQSZACIVSA-N 0 1 363.255 3.021 20 10 FGCDMN COc1ccc(N2CC[C@@H](NCc3occc3Br)C2)cc1 ZINC000850347841 731345711 /nfs/dbraw/zinc/34/57/11/731345711.db2.gz YQFIBTNUCWZKTE-GFCCVEGCSA-N 0 1 351.244 3.419 20 10 FGCDMN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000850502820 731365914 /nfs/dbraw/zinc/36/59/14/731365914.db2.gz RHKVRDFYLPOTLD-FAXLKDOZSA-N 0 1 372.303 3.371 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(Br)cc1[O-] ZINC000850559700 731373298 /nfs/dbraw/zinc/37/32/98/731373298.db2.gz ANXRUAOSTLVVTO-SJCJKPOMSA-N 0 1 372.303 3.373 20 10 FGCDMN Cn1nc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000857508240 732134927 /nfs/dbraw/zinc/13/49/27/732134927.db2.gz OQVZBNQAIMHQNH-UHFFFAOYSA-N 0 1 364.232 3.445 20 10 FGCDMN COc1ccc([C@H](CO)C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858177017 732189378 /nfs/dbraw/zinc/18/93/78/732189378.db2.gz GEYIXYUCICCZDN-ZDUSSCGKSA-N 0 1 366.255 3.029 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000858498835 732220924 /nfs/dbraw/zinc/22/09/24/732220924.db2.gz VXJNBFYSQPQLDN-MORSLUCNSA-N 0 1 362.495 3.056 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000862233925 732792330 /nfs/dbraw/zinc/79/23/30/732792330.db2.gz XSYMJKLIFZWNAN-UHFFFAOYSA-N 0 1 368.300 3.324 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000862233925 732792331 /nfs/dbraw/zinc/79/23/31/732792331.db2.gz XSYMJKLIFZWNAN-UHFFFAOYSA-N 0 1 368.300 3.324 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000862315687 732807687 /nfs/dbraw/zinc/80/76/87/732807687.db2.gz DSGZCFVZEDLZEU-CYBMUJFWSA-N 0 1 370.287 3.172 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000863407258 732959127 /nfs/dbraw/zinc/95/91/27/732959127.db2.gz BIFYRZABSVHSCT-KRWDZBQOSA-N 0 1 369.414 3.059 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1[O-] ZINC000866530417 733361119 /nfs/dbraw/zinc/36/11/19/733361119.db2.gz ASYSFBZNSOMZKD-OCCSQVGLSA-N 0 1 370.287 3.391 20 10 FGCDMN COC1CCN(c2ccc(CN3CCO[C@@H](C(F)F)CC3)cc2)CC1 ZINC000872272691 735611340 /nfs/dbraw/zinc/61/13/40/735611340.db2.gz QLVXOPWLUVXNFW-GOSISDBHSA-N 0 1 354.441 3.158 20 10 FGCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccns1 ZINC000876941744 736165917 /nfs/dbraw/zinc/16/59/17/736165917.db2.gz PQJXGTAOWBOYQO-UHFFFAOYSA-N 0 1 357.401 3.288 20 10 FGCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877167899 736194561 /nfs/dbraw/zinc/19/45/61/736194561.db2.gz MLKVDSBTYSOIBS-NEPJUHHUSA-N 0 1 356.413 3.406 20 10 FGCDMN CO[C@@H]1C[C@H]2CN(Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687618 736705073 /nfs/dbraw/zinc/70/50/73/736705073.db2.gz KRCTUCJNMVVDAG-DLBZAZTESA-N 0 1 359.857 3.050 20 10 FGCDMN COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@@H]1CCCOC1 ZINC000886789671 739299895 /nfs/dbraw/zinc/29/98/95/739299895.db2.gz ZNZDYUXRKVEFEY-ZOWXZIJZSA-N 0 1 358.276 3.247 20 10 FGCDMN CC(=O)c1csc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891251873 739886735 /nfs/dbraw/zinc/88/67/35/739886735.db2.gz HTNYGGJIDOCTLB-QGZVFWFLSA-N 0 1 359.495 3.049 20 10 FGCDMN CN(C)c1ccc(C[NH2+]Cc2ncc(Br)cc2[O-])cc1F ZINC000892738543 740038975 /nfs/dbraw/zinc/03/89/75/740038975.db2.gz VQLCODISOXUWOV-UHFFFAOYSA-N 0 1 354.223 3.045 20 10 FGCDMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(F)cc(F)c1O ZINC000893919137 742213290 /nfs/dbraw/zinc/21/32/90/742213290.db2.gz GRPHVMVLCPRTBQ-NSHDSACASA-N 0 1 355.406 3.267 20 10 FGCDMN C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894107666 742240246 /nfs/dbraw/zinc/24/02/46/742240246.db2.gz QUGFUWJQVQOBOJ-DZGCQCFKSA-N 0 1 365.905 3.498 20 10 FGCDMN C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894107666 742240247 /nfs/dbraw/zinc/24/02/47/742240247.db2.gz QUGFUWJQVQOBOJ-DZGCQCFKSA-N 0 1 365.905 3.498 20 10 FGCDMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894781138 742332717 /nfs/dbraw/zinc/33/27/17/742332717.db2.gz OFEVMBVBTJMYTO-GFCCVEGCSA-N 0 1 373.266 3.032 20 10 FGCDMN CSCc1cnc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449636 742795740 /nfs/dbraw/zinc/79/57/40/742795740.db2.gz INTSHEVZVASRKV-QGZVFWFLSA-N 0 1 364.584 3.465 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1[O-] ZINC000903433825 743850182 /nfs/dbraw/zinc/85/01/82/743850182.db2.gz FRWYHCUDBDOZSX-KOLCDFICSA-N 0 1 369.252 3.124 20 10 FGCDMN Cc1cc(C)c(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c(=O)[nH]1 ZINC000908211938 744270863 /nfs/dbraw/zinc/27/08/63/744270863.db2.gz MTGSUESFLIZOJE-UHFFFAOYSA-N 0 1 355.221 3.275 20 10 FGCDMN C[C@@H](c1cccc(C(F)(F)F)c1[O-])N1CCc2sc(C[NH3+])nc2C1 ZINC000925750001 759530593 /nfs/dbraw/zinc/53/05/93/759530593.db2.gz BZYWPSJDLUQVGQ-VIFPVBQESA-N 0 1 357.401 3.446 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000927105174 759892405 /nfs/dbraw/zinc/89/24/05/759892405.db2.gz QNMCIMKPLGPCHX-DOMZBBRYSA-N 0 1 369.303 3.059 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000927105577 759893160 /nfs/dbraw/zinc/89/31/60/759893160.db2.gz UCCKSOIXBDQRFX-IUODEOHRSA-N 0 1 369.303 3.059 20 10 FGCDMN Cc1cc(F)ccc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O ZINC000101683973 495091370 /nfs/dbraw/zinc/09/13/70/495091370.db2.gz FXPQQVMOUYIHHA-GDNBJRDFSA-N 0 1 350.484 3.430 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151341136 495809100 /nfs/dbraw/zinc/80/91/00/495809100.db2.gz CYFAHGWPLMZXDP-HIFRSBDPSA-N 0 1 358.301 3.299 20 10 FGCDMN CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2cc(Br)ccc2[O-])C1 ZINC000156376177 496228612 /nfs/dbraw/zinc/22/86/12/496228612.db2.gz LHMREKVZXZQWMI-OCCSQVGLSA-N 0 1 355.276 3.206 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Br)ccc1[O-] ZINC000156735532 496323384 /nfs/dbraw/zinc/32/33/84/496323384.db2.gz SXHQJOSSYKMBTQ-JSGCOSHPSA-N 0 1 350.260 3.476 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCCc1cn[nH]n1 ZINC000184612292 496463024 /nfs/dbraw/zinc/46/30/24/496463024.db2.gz VXTUUYMLGGEUDE-UHFFFAOYSA-N 0 1 355.486 3.166 20 10 FGCDMN CCNC(=O)COc1ccc(N[C@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000187841133 496590589 /nfs/dbraw/zinc/59/05/89/496590589.db2.gz GUWAUNKKAURFMZ-LLVKDONJSA-N 0 1 350.365 3.358 20 10 FGCDMN C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000185279179 496723221 /nfs/dbraw/zinc/72/32/21/496723221.db2.gz AXUCSXNTEUWWDS-GFCCVEGCSA-N 0 1 365.836 3.267 20 10 FGCDMN Cc1cc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)n1-c1ccccn1 ZINC000270758350 497196807 /nfs/dbraw/zinc/19/68/07/497196807.db2.gz ODIPRKKQIHQRMF-CYBMUJFWSA-N 0 1 352.442 3.222 20 10 FGCDMN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000277251151 497788127 /nfs/dbraw/zinc/78/81/27/497788127.db2.gz PNAZBVHPNGXMGW-GFCCVEGCSA-N 0 1 374.934 3.289 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cc(Br)ccc1[O-] ZINC000280890542 497938012 /nfs/dbraw/zinc/93/80/12/497938012.db2.gz FBERNFBKVFUGGT-BBRMVZONSA-N 0 1 369.303 3.454 20 10 FGCDMN CC(C)n1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000289691131 498249257 /nfs/dbraw/zinc/24/92/57/498249257.db2.gz KCYBYTSZVVOOCZ-AWEZNQCLSA-N 0 1 365.428 3.219 20 10 FGCDMN COc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000365172423 498333909 /nfs/dbraw/zinc/33/39/09/498333909.db2.gz USKUCVMHOASFLZ-IIBYNOLFSA-N 0 1 369.465 3.290 20 10 FGCDMN CC(C)c1nc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n[nH]1 ZINC000297349734 498415881 /nfs/dbraw/zinc/41/58/81/498415881.db2.gz TUMMBALCIUONDP-UHFFFAOYSA-N 0 1 370.501 3.164 20 10 FGCDMN CN1CCCc2cc(CN[C@@H](c3nnc[nH]3)c3ccc(F)cc3)ccc21 ZINC000293738504 498473042 /nfs/dbraw/zinc/47/30/42/498473042.db2.gz NJOHXGYWHJUYTP-LJQANCHMSA-N 0 1 351.429 3.205 20 10 FGCDMN CCN(CC)c1ccc(CNCc2cnc(-c3cnn(C)c3)nc2)cc1F ZINC000366334201 498877786 /nfs/dbraw/zinc/87/77/86/498877786.db2.gz GMITVGYRRJBMGV-UHFFFAOYSA-N 0 1 368.460 3.152 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1[O-] ZINC000369902255 499148743 /nfs/dbraw/zinc/14/87/43/499148743.db2.gz LPCIYLRVTWZEOC-DETPVDSQSA-N 0 1 356.260 3.143 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000370050294 499171341 /nfs/dbraw/zinc/17/13/41/499171341.db2.gz OUGAAJSWIPASQT-UHFFFAOYSA-N 0 1 374.872 3.139 20 10 FGCDMN Cc1nc(CN(C)[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000370225757 499199232 /nfs/dbraw/zinc/19/92/32/499199232.db2.gz XVLVDOBHWJCOSM-MRXNPFEDSA-N 0 1 364.877 3.224 20 10 FGCDMN Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000370225757 499199233 /nfs/dbraw/zinc/19/92/33/499199233.db2.gz XVLVDOBHWJCOSM-MRXNPFEDSA-N 0 1 364.877 3.224 20 10 FGCDMN CCc1nc(CN2CCC[C@H]([N@@H+](C)[C@@H](C)c3cc(OC)ccc3O)C2)no1 ZINC000368030322 499257156 /nfs/dbraw/zinc/25/71/56/499257156.db2.gz MYBOKLKAWSBSDR-GJZGRUSLSA-N 0 1 374.485 3.004 20 10 FGCDMN CCCOc1ccc(CN2CCCN(C(=O)c3ccoc3)CC2)c(O)c1 ZINC000371412580 499323336 /nfs/dbraw/zinc/32/33/36/499323336.db2.gz WSLIIYGGNWHMTB-UHFFFAOYSA-N 0 1 358.438 3.122 20 10 FGCDMN CCc1nc([C@@H]2CCCN(Cc3cc(Cl)cc(OC)c3O)C2)no1 ZINC000368708849 499324329 /nfs/dbraw/zinc/32/43/29/499324329.db2.gz XXPQEUSEEJPLPZ-LLVKDONJSA-N 0 1 351.834 3.379 20 10 FGCDMN CN(C)c1ccc(CN(C)C(=O)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000369663004 499433620 /nfs/dbraw/zinc/43/36/20/499433620.db2.gz RXPOCMPWUWCGML-UHFFFAOYSA-N 0 1 366.509 3.018 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376575472 499620013 /nfs/dbraw/zinc/62/00/13/499620013.db2.gz VCOGXCQYVATWNJ-QWHCGFSZSA-N 0 1 358.269 3.125 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCO[C@H](C)C2)C1 ZINC000435734632 501020461 /nfs/dbraw/zinc/02/04/61/501020461.db2.gz GOQNAAHNYYMLNQ-QGZVFWFLSA-N 0 1 369.509 3.045 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](C)[C@@H]2C)C1 ZINC000435911264 501045168 /nfs/dbraw/zinc/04/51/68/501045168.db2.gz KGCODUPZVHCSMQ-DLBZAZTESA-N 0 1 369.509 3.044 20 10 FGCDMN CC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000529664577 504754784 /nfs/dbraw/zinc/75/47/84/504754784.db2.gz RLSVTUIKUMTZRW-UHFFFAOYSA-N 0 1 359.297 3.386 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccccn2)C1 ZINC000565152326 504808906 /nfs/dbraw/zinc/80/89/06/504808906.db2.gz KTMINYQUGXDBRT-UHFFFAOYSA-N 0 1 362.477 3.119 20 10 FGCDMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000564959793 505563076 /nfs/dbraw/zinc/56/30/76/505563076.db2.gz YQEFSRQOSMXQGG-CQSZACIVSA-N 0 1 370.478 3.307 20 10 FGCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736137170 598274926 /nfs/dbraw/zinc/27/49/26/598274926.db2.gz VZRVNUWUWNTMAK-SNVBAGLBSA-N 0 1 374.242 3.186 20 10 FGCDMN O=C([O-])[C@]1(F)CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000833175052 601371137 /nfs/dbraw/zinc/37/11/37/601371137.db2.gz MPNQGTZTQKIROW-INIZCTEOSA-N 0 1 368.202 3.307 20 10 FGCDMN O=C([O-])N[C@@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000740597105 602424003 /nfs/dbraw/zinc/42/40/03/602424003.db2.gz UQYMRHBOOWFHFC-GFCCVEGCSA-N 0 1 365.227 3.150 20 10 FGCDMN CN(C[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1)C(=O)[O-] ZINC000739665606 602524774 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FGCDMN Cc1cc(Br)c(O)c(C[N@H+](C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000833897651 605912924 /nfs/dbraw/zinc/91/29/24/605912924.db2.gz MXSVFQHUVODPQS-UHFFFAOYSA-N 0 1 371.275 3.474 20 10 FGCDMN CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cccc(Br)c1O ZINC000093102570 700447044 /nfs/dbraw/zinc/44/70/44/700447044.db2.gz XILDLWTZYHVRFS-ZDUSSCGKSA-N 0 1 356.260 3.461 20 10 FGCDMN COc1cc(Br)cc(C[N@H+](CCCO)CC(C)(C)C)c1[O-] ZINC000093145974 700447565 /nfs/dbraw/zinc/44/75/65/700447565.db2.gz PBJNPGFBBBRJQW-UHFFFAOYSA-N 0 1 360.292 3.394 20 10 FGCDMN COc1cc(Br)cc(C[N@@H+](CCCO)CC(C)(C)C)c1[O-] ZINC000093145974 700447568 /nfs/dbraw/zinc/44/75/68/700447568.db2.gz PBJNPGFBBBRJQW-UHFFFAOYSA-N 0 1 360.292 3.394 20 10 FGCDMN CCN(CC)c1ccc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000093647113 700453051 /nfs/dbraw/zinc/45/30/51/700453051.db2.gz XABQPPYGDUZODB-MOPGFXCFSA-N 0 1 352.544 3.320 20 10 FGCDMN Cc1ccc([C@@H](C[NH2+]Cc2c([O-])cccc2Cl)N2CCOCC2)o1 ZINC000113316479 700570688 /nfs/dbraw/zinc/57/06/88/700570688.db2.gz 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C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1[O-] ZINC000756501305 722965704 /nfs/dbraw/zinc/96/57/04/722965704.db2.gz DATSPHPODBHCMW-ONGXEEELSA-N 0 1 367.209 3.442 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1c(C)ccc2ncccc21 ZINC000790411972 723137053 /nfs/dbraw/zinc/13/70/53/723137053.db2.gz XTDMJGWNTFQZMS-UHFFFAOYSA-N 0 1 358.419 3.448 20 10 FGCDMN COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)ccn1 ZINC000764840397 723451638 /nfs/dbraw/zinc/45/16/38/723451638.db2.gz NASFXTKMRDSNNV-AWEZNQCLSA-N 0 1 361.873 3.431 20 10 FGCDMN Cc1ccc([C@@H](C)N[C@H](C(N)=O)c2cccc(Br)c2)c(O)c1 ZINC000794826196 723547874 /nfs/dbraw/zinc/54/78/74/723547874.db2.gz ASDMWTHCUONVHX-BZNIZROVSA-N 0 1 363.255 3.340 20 10 FGCDMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(F)cc1C ZINC000795323897 723582162 /nfs/dbraw/zinc/58/21/62/723582162.db2.gz JPQWEUKTTQINEZ-UHFFFAOYSA-N 0 1 367.398 3.126 20 10 FGCDMN CC(C)CNC(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000768232473 723651338 /nfs/dbraw/zinc/65/13/38/723651338.db2.gz 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724069392 /nfs/dbraw/zinc/06/93/92/724069392.db2.gz CATVNZZTCRJBBY-ZDUSSCGKSA-N 0 1 358.511 3.377 20 10 FGCDMN CC(C)c1ncc(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000799736806 724090153 /nfs/dbraw/zinc/09/01/53/724090153.db2.gz FXBVGMWCYWJQSG-UHFFFAOYSA-N 0 1 350.806 3.499 20 10 FGCDMN CC(C)c1ncc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000799736806 724090164 /nfs/dbraw/zinc/09/01/64/724090164.db2.gz FXBVGMWCYWJQSG-UHFFFAOYSA-N 0 1 350.806 3.499 20 10 FGCDMN COc1cccc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000775968249 724090471 /nfs/dbraw/zinc/09/04/71/724090471.db2.gz IDXUGRCTGNZOJP-UONOGXRCSA-N 0 1 350.459 3.231 20 10 FGCDMN Cc1c(S(=O)(=O)Nc2ccc(O)cc2)cnn1-c1ccc(Cl)cc1 ZINC000776743926 724178239 /nfs/dbraw/zinc/17/82/39/724178239.db2.gz CLLZRSUEMNXDLO-UHFFFAOYSA-N 0 1 363.826 3.341 20 10 FGCDMN COc1cc(Cl)cc(CN2CCCN(c3ncccc3F)CC2)c1O ZINC000784675882 724871686 /nfs/dbraw/zinc/87/16/86/724871686.db2.gz OKJNQBZLAFFIEK-UHFFFAOYSA-N 0 1 365.836 3.301 20 10 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COc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c(F)c1 ZINC000811702989 725377183 /nfs/dbraw/zinc/37/71/83/725377183.db2.gz JAHAQORPOBHDEY-UHFFFAOYSA-N 0 1 369.414 3.266 20 10 FGCDMN CC(=O)N[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCC1 ZINC000813683120 726904915 /nfs/dbraw/zinc/90/49/15/726904915.db2.gz UDPBJCQAOZYRPE-AWEZNQCLSA-N 0 1 359.253 3.010 20 10 FGCDMN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816522037 727171286 /nfs/dbraw/zinc/17/12/86/727171286.db2.gz HUQASZSEDWQBQG-CJNGLKHVSA-N 0 1 353.825 3.006 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000816616717 727181024 /nfs/dbraw/zinc/18/10/24/727181024.db2.gz DEQPWYKYETZPFH-HNNXBMFYSA-N 0 1 350.821 3.363 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000816616717 727181026 /nfs/dbraw/zinc/18/10/26/727181026.db2.gz DEQPWYKYETZPFH-HNNXBMFYSA-N 0 1 350.821 3.363 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)ccc1[O-] ZINC000817586782 727268379 /nfs/dbraw/zinc/26/83/79/727268379.db2.gz SGLNHAGPGSTNIP-IJLUTSLNSA-N 0 1 355.276 3.097 20 10 FGCDMN Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825651830 729390409 /nfs/dbraw/zinc/39/04/09/729390409.db2.gz MBESPJUWFCLEHJ-MRXNPFEDSA-N 0 1 350.256 3.156 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1[O-] ZINC000831116113 729618972 /nfs/dbraw/zinc/61/89/72/729618972.db2.gz VYIRYJTUQPSDBZ-UHFFFAOYSA-N 0 1 352.862 3.129 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2CN2CCOCC2)c(Cl)c1 ZINC000840876058 730186690 /nfs/dbraw/zinc/18/66/90/730186690.db2.gz JJKRZEFRAOIMOB-UHFFFAOYSA-N 0 1 360.885 3.476 20 10 FGCDMN COc1ccc(O)c([C@H](C)NCc2c(Br)c(C)nn2C)c1 ZINC000845970815 730913450 /nfs/dbraw/zinc/91/34/50/730913450.db2.gz CHCOOTDWRBSFIM-VIFPVBQESA-N 0 1 354.248 3.056 20 10 FGCDMN COC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)[C@@H]1CCC[C@H](OC)C1 ZINC000846106915 730929397 /nfs/dbraw/zinc/92/93/97/730929397.db2.gz FVLGUEGOJLKZDO-OHUAYANFSA-N 0 1 359.825 3.021 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000848568935 731183000 /nfs/dbraw/zinc/18/30/00/731183000.db2.gz AWEAPWQCLDRKNC-OCCSQVGLSA-N 0 1 369.259 3.179 20 10 FGCDMN OC1CCN(c2ccc(CNCc3ccc(Br)o3)cc2)CC1 ZINC000850406022 731353316 /nfs/dbraw/zinc/35/33/16/731353316.db2.gz OOLSMIREIKQHDW-UHFFFAOYSA-N 0 1 365.271 3.293 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000850559084 731373083 /nfs/dbraw/zinc/37/30/83/731373083.db2.gz XCYDHSYZZBKVIN-NEPJUHHUSA-N 0 1 369.303 3.452 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](OC)[C@H]1CCOC1 ZINC000851792862 731498659 /nfs/dbraw/zinc/49/86/59/731498659.db2.gz QKHGQLIJOJDODD-BLLLJJGKSA-N 0 1 358.276 3.028 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](OC)[C@H]1CCOC1 ZINC000851792862 731498661 /nfs/dbraw/zinc/49/86/61/731498661.db2.gz QKHGQLIJOJDODD-BLLLJJGKSA-N 0 1 358.276 3.028 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](OC)[C@H]1CCOC1 ZINC000851792862 731498665 /nfs/dbraw/zinc/49/86/65/731498665.db2.gz QKHGQLIJOJDODD-BLLLJJGKSA-N 0 1 358.276 3.028 20 10 FGCDMN CCN(CC)C(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862235006 732792074 /nfs/dbraw/zinc/79/20/74/732792074.db2.gz KAVRREXEZWSAOS-UHFFFAOYSA-N 0 1 369.303 3.235 20 10 FGCDMN COc1cccc(CNCc2nc(C(F)(F)F)n3c2CCCC3)c1O ZINC000865804126 733272398 /nfs/dbraw/zinc/27/23/98/733272398.db2.gz PSOBSJCEMRIIFI-UHFFFAOYSA-N 0 1 355.360 3.242 20 10 FGCDMN C[C@@H](OCc1ccncc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000868358125 733586657 /nfs/dbraw/zinc/58/66/57/733586657.db2.gz MTRDVHULOAKNPL-SNVBAGLBSA-N 0 1 355.221 3.316 20 10 FGCDMN CCCS(=O)(=O)Nc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876862368 736155229 /nfs/dbraw/zinc/15/52/29/736155229.db2.gz OPAMWQRJHGKQEM-UHFFFAOYSA-N 0 1 356.394 3.434 20 10 FGCDMN Nc1c(Cl)cccc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000877582071 736688383 /nfs/dbraw/zinc/68/83/83/736688383.db2.gz HDMBEYXXZQXAOA-UHFFFAOYSA-N 0 1 367.827 3.327 20 10 FGCDMN CC(C)(C)OC(=O)Nc1cnc(CNCc2cc(Cl)ccc2O)cn1 ZINC000877612295 736693075 /nfs/dbraw/zinc/69/30/75/736693075.db2.gz GRRUUDQBUBDHLQ-UHFFFAOYSA-N 0 1 364.833 3.472 20 10 FGCDMN CC(C)(C)OC(=O)Nc1cnc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000877612295 736693077 /nfs/dbraw/zinc/69/30/77/736693077.db2.gz GRRUUDQBUBDHLQ-UHFFFAOYSA-N 0 1 364.833 3.472 20 10 FGCDMN CN1CCN(c2ccc(CNC(=O)C[C@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000881853166 737390428 /nfs/dbraw/zinc/39/04/28/737390428.db2.gz LVHFESCEWGIPFQ-QGZVFWFLSA-N 0 1 370.324 3.029 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(Cl)cn3)SC2=S)CC1 ZINC000887271908 739351558 /nfs/dbraw/zinc/35/15/58/739351558.db2.gz BIMRTRZSSFRRNP-JYRVWZFOSA-N 0 1 353.900 3.030 20 10 FGCDMN CC(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000891247065 739885924 /nfs/dbraw/zinc/88/59/24/739885924.db2.gz HBKQYWCSJZHFIB-QGZVFWFLSA-N 0 1 359.495 3.049 20 10 FGCDMN Oc1cc(Cl)cc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000892624036 740024349 /nfs/dbraw/zinc/02/43/49/740024349.db2.gz YLUWGNODYGVOIR-UHFFFAOYSA-N 0 1 350.821 3.311 20 10 FGCDMN CSCc1n[nH]c(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000894614873 742308173 /nfs/dbraw/zinc/30/81/73/742308173.db2.gz ZIQVQJNBWOWBEU-UHFFFAOYSA-N 0 1 355.467 3.005 20 10 FGCDMN CSCc1nnc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]1 ZINC000894614873 742308176 /nfs/dbraw/zinc/30/81/76/742308176.db2.gz ZIQVQJNBWOWBEU-UHFFFAOYSA-N 0 1 355.467 3.005 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1Cl ZINC000896814035 742602945 /nfs/dbraw/zinc/60/29/45/742602945.db2.gz FHYCZFOADIBTBA-UHFFFAOYSA-N 0 1 353.871 3.090 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(Cl)cc1[O-] ZINC000903424215 743848750 /nfs/dbraw/zinc/84/87/50/743848750.db2.gz ONJYJRDJBWAUAQ-LBPRGKRZSA-N 0 1 368.886 3.292 20 10 FGCDMN CCc1[nH]nc(Cl)c1CNCc1ccc(N2CCSCC2)cc1 ZINC000921549590 758741050 /nfs/dbraw/zinc/74/10/50/758741050.db2.gz CFOIWDPMGKUQJH-UHFFFAOYSA-N 0 1 350.919 3.469 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Br)c(F)cc1[O-] ZINC000925778158 759536286 /nfs/dbraw/zinc/53/62/86/759536286.db2.gz RRHHCCFFZQXPTK-BDAKNGLRSA-N 0 1 367.209 3.189 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000927148332 759907198 /nfs/dbraw/zinc/90/71/98/759907198.db2.gz WMKYHTHDBZJYDX-DGCLKSJQSA-N 0 1 354.376 3.138 20 10 FGCDMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000183006691 495795672 /nfs/dbraw/zinc/79/56/72/495795672.db2.gz ACVGRMFOQDJQOA-HRAATJIYSA-N 0 1 366.509 3.375 20 10 FGCDMN CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cc(Br)ccc1[O-] ZINC000155710804 496042543 /nfs/dbraw/zinc/04/25/43/496042543.db2.gz CJASKANVNMMYIH-INIZCTEOSA-N 0 1 369.303 3.454 20 10 FGCDMN COc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])ccc1OCCO ZINC000273303819 496769318 /nfs/dbraw/zinc/76/93/18/496769318.db2.gz CERCSPUHKFHYQS-GFCCVEGCSA-N 0 1 351.830 3.276 20 10 FGCDMN CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000277514011 496799153 /nfs/dbraw/zinc/79/91/53/496799153.db2.gz WSHBVLVQDRPRJR-BDAKNGLRSA-N 0 1 353.810 3.436 20 10 FGCDMN CN(C)C(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279569462 497473448 /nfs/dbraw/zinc/47/34/48/497473448.db2.gz FWKMRCALXRNOKW-UHFFFAOYSA-N 0 1 357.420 3.072 20 10 FGCDMN CCOCc1cc(CN[C@@](C)(CC(=O)OC)c2ccncc2)ccc1OC ZINC000276443387 497575982 /nfs/dbraw/zinc/57/59/82/497575982.db2.gz IZYUOWTXZKIXFV-NRFANRHFSA-N 0 1 372.465 3.195 20 10 FGCDMN CCCOc1ccc(CN2CCCC[C@H]2c2n[nH]c(COC)n2)c(O)c1 ZINC000296021741 497893686 /nfs/dbraw/zinc/89/36/86/497893686.db2.gz MMCUPAWBTOEPKY-INIZCTEOSA-N 0 1 360.458 3.173 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000282255693 498441144 /nfs/dbraw/zinc/44/11/44/498441144.db2.gz OXCIWFGONKVDLP-UHFFFAOYSA-N 0 1 368.300 3.370 20 10 FGCDMN Oc1ccccc1CN(Cc1cnn(CC(F)F)c1)C[C@@H]1CCCO1 ZINC000294862047 498829933 /nfs/dbraw/zinc/82/99/33/498829933.db2.gz JNAALDXPEZGBJE-INIZCTEOSA-N 0 1 351.397 3.035 20 10 FGCDMN O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000367570432 499213771 /nfs/dbraw/zinc/21/37/71/499213771.db2.gz HFSYXVQHASFAFQ-UHFFFAOYSA-N 0 1 368.264 3.422 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000370373589 499214309 /nfs/dbraw/zinc/21/43/09/499214309.db2.gz JXSMKOWVROMULG-RDJZCZTQSA-N 0 1 356.441 3.273 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000372210310 499409423 /nfs/dbraw/zinc/40/94/23/499409423.db2.gz PCARVUBPQIAJBD-LJQANCHMSA-N 0 1 352.482 3.479 20 10 FGCDMN CCn1cnnc1[C@@H]1CN([C@@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752585 499551674 /nfs/dbraw/zinc/55/16/74/499551674.db2.gz BOSWSCVDHPFPTK-LIRRHRJNSA-N 0 1 356.470 3.017 20 10 FGCDMN Cc1nc(CN2CCC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])C2)no1 ZINC000376308225 499599455 /nfs/dbraw/zinc/59/94/55/499599455.db2.gz ROPJHJYOMLZONF-RISCZKNCSA-N 0 1 350.850 3.052 20 10 FGCDMN CO[C@@H]1CCC[C@H]1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000453015946 501602127 /nfs/dbraw/zinc/60/21/27/501602127.db2.gz XPXLKTRTNRFAFP-WIYYLYMNSA-N 0 1 369.509 3.092 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@H](C)O2)C1 ZINC000457361576 501687359 /nfs/dbraw/zinc/68/73/59/501687359.db2.gz KRNHMIWTBXXEEN-DLBZAZTESA-N 0 1 369.509 3.092 20 10 FGCDMN CCN1C[C@@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@H]1C ZINC000498553260 503207828 /nfs/dbraw/zinc/20/78/28/503207828.db2.gz FECKEQLTAGVPKR-HZPDHXFCSA-N 0 1 371.525 3.459 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@H](F)C2)C1 ZINC000557953272 505270676 /nfs/dbraw/zinc/27/06/76/505270676.db2.gz YUCFWEFMYMCRCW-JKSUJKDBSA-N 0 1 357.473 3.415 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1O ZINC000833308345 602204218 /nfs/dbraw/zinc/20/42/18/602204218.db2.gz RHYBYVVFXATBPV-YCRPNKLZSA-N 0 1 355.434 3.371 20 10 FGCDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000825262591 604026684 /nfs/dbraw/zinc/02/66/84/604026684.db2.gz AZXQXGYCYXEOTR-OLZOCXBDSA-N 0 1 350.459 3.263 20 10 FGCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092455402 700435999 /nfs/dbraw/zinc/43/59/99/700435999.db2.gz ARNLLUZSAAXMEG-LBPRGKRZSA-N 0 1 371.275 3.254 20 10 FGCDMN COc1ccc([C@H](CO)[N@H+](C)Cc2cc(Br)ccc2[O-])cc1 ZINC000093415237 700451083 /nfs/dbraw/zinc/45/10/83/700451083.db2.gz YCXFTRPKWUHMAK-INIZCTEOSA-N 0 1 366.255 3.329 20 10 FGCDMN COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(Br)ccc2[O-])cc1 ZINC000093415237 700451085 /nfs/dbraw/zinc/45/10/85/700451085.db2.gz YCXFTRPKWUHMAK-INIZCTEOSA-N 0 1 366.255 3.329 20 10 FGCDMN CN(C)c1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1F ZINC000119910799 700642409 /nfs/dbraw/zinc/64/24/09/700642409.db2.gz ZLBQKWICHQHFOE-UHFFFAOYSA-N 0 1 361.486 3.348 20 10 FGCDMN COC(=O)c1ccc(CN2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000163067694 705308196 /nfs/dbraw/zinc/30/81/96/705308196.db2.gz MUZTYCUALAQJBN-UHFFFAOYSA-N 0 1 360.479 3.256 20 10 FGCDMN COc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000373974988 713889384 /nfs/dbraw/zinc/88/93/84/713889384.db2.gz GERFPRFLGNIKIU-FHSNZYRGSA-N 0 1 355.862 3.213 20 10 FGCDMN COCCO[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000802652204 724397506 /nfs/dbraw/zinc/39/75/06/724397506.db2.gz PJIBEWRZOVMTCS-MRXNPFEDSA-N 0 1 360.420 3.399 20 10 FGCDMN CCc1[nH]ccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000802782319 724406568 /nfs/dbraw/zinc/40/65/68/724406568.db2.gz SAMHYZHRIQTMMG-OAHLLOKOSA-N 0 1 361.873 3.331 20 10 FGCDMN C[C@H]1CN(Cc2cccc(Br)c2O)C[C@@H](C(F)(F)F)O1 ZINC000769494928 723687230 /nfs/dbraw/zinc/68/72/30/723687230.db2.gz BOAGTVDKIDDQMD-KWQFWETISA-N 0 1 354.166 3.306 20 10 FGCDMN COc1ccc(O)c(CN[C@@H](CCO)c2ccccc2Br)c1 ZINC000781928522 724613469 /nfs/dbraw/zinc/61/34/69/724613469.db2.gz WXUIGQGRUMJGHP-INIZCTEOSA-N 0 1 366.255 3.377 20 10 FGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])[C@H](C)N ZINC000817978220 727289914 /nfs/dbraw/zinc/28/99/14/727289914.db2.gz YNXBIRAUQNBSRY-RNJXMRFFSA-N 0 1 366.097 3.304 20 10 FGCDMN COc1cccc(O)c1CNCC(=O)Nc1cc(Cl)ccc1Cl ZINC000732227908 722482799 /nfs/dbraw/zinc/48/27/99/722482799.db2.gz HLHNQTFLHNECAJ-UHFFFAOYSA-N 0 1 355.221 3.436 20 10 FGCDMN COc1ncc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000751958443 722837698 /nfs/dbraw/zinc/83/76/98/722837698.db2.gz SDOCHSMVSUTYSC-UHFFFAOYSA-N 0 1 361.873 3.212 20 10 FGCDMN C[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1cc(F)ccc1O ZINC000756363659 722963420 /nfs/dbraw/zinc/96/34/20/722963420.db2.gz HMDKSSYPYUBIEA-VIFPVBQESA-N 0 1 354.307 3.444 20 10 FGCDMN COc1ccc([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)[O-])cc1F ZINC000756363658 722963453 /nfs/dbraw/zinc/96/34/53/722963453.db2.gz NNQFESWDXWQZJS-HNNXBMFYSA-N 0 1 357.740 3.248 20 10 FGCDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1Br ZINC000789882206 723081460 /nfs/dbraw/zinc/08/14/60/723081460.db2.gz XNLFJDZNVDFCKZ-UHFFFAOYSA-N 0 1 365.275 3.073 20 10 FGCDMN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000792926735 723383164 /nfs/dbraw/zinc/38/31/64/723383164.db2.gz NUOPMLHPIDWGBP-HNNXBMFYSA-N 0 1 352.862 3.129 20 10 FGCDMN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000792926735 723383167 /nfs/dbraw/zinc/38/31/67/723383167.db2.gz NUOPMLHPIDWGBP-HNNXBMFYSA-N 0 1 352.862 3.129 20 10 FGCDMN COc1ccc(CNCc2ccccc2I)c(O)c1 ZINC000793387548 723432735 /nfs/dbraw/zinc/43/27/35/723432735.db2.gz GMAOAKGJZGAJFL-UHFFFAOYSA-N 0 1 369.202 3.295 20 10 FGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765608850 723527256 /nfs/dbraw/zinc/52/72/56/723527256.db2.gz MKFJLDCPRRAYRZ-LBPRGKRZSA-N 0 1 367.417 3.469 20 10 FGCDMN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000796588727 723645427 /nfs/dbraw/zinc/64/54/27/723645427.db2.gz XILPJFYCGPBZIW-HNNXBMFYSA-N 0 1 352.862 3.129 20 10 FGCDMN COc1cc(CN2CCCN(C(=O)c3ccsc3)CC2)c(O)cc1C ZINC000768442163 723657713 /nfs/dbraw/zinc/65/77/13/723657713.db2.gz JXCJBOXGKXSAEW-UHFFFAOYSA-N 0 1 360.479 3.119 20 10 FGCDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770313627 723710948 /nfs/dbraw/zinc/71/09/48/723710948.db2.gz ZGHKSLWIIHHYLX-CQSZACIVSA-N 0 1 350.806 3.333 20 10 FGCDMN Cn1cnn(-c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)c1=O ZINC000770738415 723720222 /nfs/dbraw/zinc/72/02/22/723720222.db2.gz HYAGQWJXZFGGSD-UHFFFAOYSA-N 0 1 365.220 3.196 20 10 FGCDMN CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)O1 ZINC000771058309 723726947 /nfs/dbraw/zinc/72/69/47/723726947.db2.gz MMRBSESEWRSTLQ-JFIYKMOQSA-N 0 1 366.889 3.084 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774114582 723860741 /nfs/dbraw/zinc/86/07/41/723860741.db2.gz GNMDYLVAGFCNIA-LBPRGKRZSA-N 0 1 360.329 3.376 20 10 FGCDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(F)c1 ZINC000775291461 723977163 /nfs/dbraw/zinc/97/71/63/723977163.db2.gz HPRYMYPWQCDGDM-UHFFFAOYSA-N 0 1 366.414 3.216 20 10 FGCDMN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000775350510 723985060 /nfs/dbraw/zinc/98/50/60/723985060.db2.gz NJNWVTSIPCCUNJ-NEPJUHHUSA-N 0 1 371.275 3.111 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1[O-] ZINC000775490295 723995313 /nfs/dbraw/zinc/99/53/13/723995313.db2.gz VPKKZAHSCMIDFU-AEFFLSMTSA-N 0 1 370.946 3.294 20 10 FGCDMN CC[C@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775551465 723999945 /nfs/dbraw/zinc/99/99/45/723999945.db2.gz NIOUJRHUMDGHBA-INIZCTEOSA-N 0 1 374.934 3.148 20 10 FGCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000775673708 724021391 /nfs/dbraw/zinc/02/13/91/724021391.db2.gz YBVCZIDYLAEJCB-ZDUSSCGKSA-N 0 1 353.781 3.019 20 10 FGCDMN Cc1cc(Br)cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690775 724026016 /nfs/dbraw/zinc/02/60/16/724026016.db2.gz XFYLLLHCRKIWBL-DGCLKSJQSA-N 0 1 368.193 3.351 20 10 FGCDMN CC(C)Cc1nnc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775833216 724069511 /nfs/dbraw/zinc/06/95/11/724069511.db2.gz ILGAEZVFJBNJSX-ZDUSSCGKSA-N 0 1 361.515 3.092 20 10 FGCDMN C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000799726605 724088380 /nfs/dbraw/zinc/08/83/80/724088380.db2.gz QOOAVPMMVPXZKO-GFCCVEGCSA-N 0 1 360.329 3.376 20 10 FGCDMN COc1cc(N2CCN(CCSC(C)(C)C)CC2)cc(OC)c1OC ZINC000801941608 724348616 /nfs/dbraw/zinc/34/86/16/724348616.db2.gz ROPZSBQZKNGVJL-UHFFFAOYSA-N 0 1 368.543 3.366 20 10 FGCDMN CC[C@H]([NH2+]CCCN1CCN(C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806127530 725116703 /nfs/dbraw/zinc/11/67/03/725116703.db2.gz GARZPQUKKLYVKC-INIZCTEOSA-N 0 1 360.329 3.377 20 10 FGCDMN CCc1n[nH]c(=O)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1CC ZINC000807835988 725171323 /nfs/dbraw/zinc/17/13/23/725171323.db2.gz DFJFNQQGEKMXRA-UHFFFAOYSA-N 0 1 370.236 3.249 20 10 FGCDMN CC(=O)NCc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807838133 725171832 /nfs/dbraw/zinc/17/18/32/725171832.db2.gz KXBOWVZLRYRUPN-UHFFFAOYSA-N 0 1 367.232 3.265 20 10 FGCDMN Cc1cc(C(=O)N(C)Cc2n[nH]c(=O)o2)c(C)n1-c1ccc(Cl)cc1 ZINC000808099208 725183593 /nfs/dbraw/zinc/18/35/93/725183593.db2.gz GNNJTWGJLIOBHN-UHFFFAOYSA-N 0 1 360.801 3.108 20 10 FGCDMN Cc1nc2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cn2n1 ZINC000809896138 725275176 /nfs/dbraw/zinc/27/51/76/725275176.db2.gz FJGILFJNTZPGKJ-UHFFFAOYSA-N 0 1 366.208 3.372 20 10 FGCDMN CN(C)c1ccc(CNCc2cn3ccc(Br)cc3n2)cc1 ZINC000810125382 725291201 /nfs/dbraw/zinc/29/12/01/725291201.db2.gz DLVIWWYXGNRNAX-UHFFFAOYSA-N 0 1 359.271 3.453 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000810165570 725294035 /nfs/dbraw/zinc/29/40/35/725294035.db2.gz WMTUCHXHZZJSJK-WMZOPIPTSA-N 0 1 362.267 3.411 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216441 725297286 /nfs/dbraw/zinc/29/72/86/725297286.db2.gz VYHWAXJIDIMHOU-JSGCOSHPSA-N 0 1 354.376 3.367 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227698 725298230 /nfs/dbraw/zinc/29/82/30/725298230.db2.gz ZVNSLAWENQORBV-MMMKDXCPSA-N 0 1 356.388 3.461 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240184 725298995 /nfs/dbraw/zinc/29/89/95/725298995.db2.gz QHDIBUZZCAALKO-BXUZGUMPSA-N 0 1 365.417 3.277 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)c(F)cc1[O-] ZINC000810254678 725300245 /nfs/dbraw/zinc/30/02/45/725300245.db2.gz PIMQBLXMVCISMO-DTWKUNHWSA-N 0 1 354.223 3.225 20 10 FGCDMN COc1cc(Cl)cc(CN2CCCC[C@@H]2COC(=O)NC2CC2)c1O ZINC000811511681 725371411 /nfs/dbraw/zinc/37/14/11/725371411.db2.gz QPXCUHWWXADDFC-OAHLLOKOSA-N 0 1 368.861 3.297 20 10 FGCDMN CN(C)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813792887 726914880 /nfs/dbraw/zinc/91/48/80/726914880.db2.gz YBOUPHUIPLVDQC-QGZVFWFLSA-N 0 1 367.262 3.477 20 10 FGCDMN O=C1N=C(SCc2nn[nH]n2)SC1=Cc1csc2ccccc12 ZINC000814772338 726998530 /nfs/dbraw/zinc/99/85/30/726998530.db2.gz UATQLXHKMSADSB-WZUFQYTHSA-N 0 1 359.461 3.318 20 10 FGCDMN CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000815633024 727087494 /nfs/dbraw/zinc/08/74/94/727087494.db2.gz DNNAZELCJNEHFS-NWDGAFQWSA-N 0 1 357.292 3.358 20 10 FGCDMN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ncc(Br)cn1 ZINC000815634137 727087846 /nfs/dbraw/zinc/08/78/46/727087846.db2.gz FAQBYJIMVCERBU-RKDXNWHRSA-N 0 1 367.203 3.265 20 10 FGCDMN CCOC(=O)CC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824575876 729348799 /nfs/dbraw/zinc/34/87/99/729348799.db2.gz SSTYKMVFLAVOLV-UHFFFAOYSA-N 0 1 356.260 3.320 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824584055 729349167 /nfs/dbraw/zinc/34/91/67/729349167.db2.gz VWQRHOKSZGLMCC-ZBFHGGJFSA-N 0 1 360.420 3.299 20 10 FGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824636104 729352234 /nfs/dbraw/zinc/35/22/34/729352234.db2.gz LUTZRTJEJIWGCY-QAPCUYQASA-N 0 1 353.796 3.485 20 10 FGCDMN CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825143761 729372670 /nfs/dbraw/zinc/37/26/70/729372670.db2.gz HKXYKEQFFGNGNA-UHFFFAOYSA-N 0 1 369.303 3.281 20 10 FGCDMN C[C@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])c1ccc(F)cc1F ZINC000825283173 729377055 /nfs/dbraw/zinc/37/70/55/729377055.db2.gz HEOXSDPPFZJXEF-INIZCTEOSA-N 0 1 372.209 3.430 20 10 FGCDMN O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825341639 729379409 /nfs/dbraw/zinc/37/94/09/729379409.db2.gz PHKNVPOWLKQSLA-HNNXBMFYSA-N 0 1 367.287 3.035 20 10 FGCDMN Cn1cc(C[NH2+]Cc2ccc(Br)cc2[O-])c(C(F)(F)F)n1 ZINC000825376346 729380906 /nfs/dbraw/zinc/38/09/06/729380906.db2.gz YJPMXIMIRGIKMM-UHFFFAOYSA-N 0 1 364.165 3.197 20 10 FGCDMN COC(=O)c1oc(CNCc2cc(Br)ccc2O)cc1C ZINC000825893103 729398782 /nfs/dbraw/zinc/39/87/82/729398782.db2.gz OSPFTFZJDHQDOA-UHFFFAOYSA-N 0 1 354.200 3.133 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000834882143 729841841 /nfs/dbraw/zinc/84/18/41/729841841.db2.gz IKOXLAIXMLTNAD-LBPRGKRZSA-N 0 1 368.886 3.147 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1cc(Br)ccc1[O-] ZINC000834880706 729841941 /nfs/dbraw/zinc/84/19/41/729841941.db2.gz OMGGEEDWUHEFGY-DIOULYMOSA-N 0 1 358.276 3.247 20 10 FGCDMN CC[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)F)cc1[O-] ZINC000834888085 729843125 /nfs/dbraw/zinc/84/31/25/729843125.db2.gz MVBGNPHTJHLZOY-IJEWVQPXSA-N 0 1 358.404 3.315 20 10 FGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1[O-] ZINC000840797083 730175453 /nfs/dbraw/zinc/17/54/53/730175453.db2.gz PTAPGGVXPYWXPW-BBRMVZONSA-N 0 1 369.889 3.420 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c(Cl)c1 ZINC000840881016 730187554 /nfs/dbraw/zinc/18/75/54/730187554.db2.gz MYIWQOGPCPIMHX-UHFFFAOYSA-N 0 1 353.871 3.188 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Br)cc1[O-] ZINC000840886673 730188457 /nfs/dbraw/zinc/18/84/57/730188457.db2.gz LPRHMPFCVDNBKE-DYLAAIIWSA-N 0 1 350.203 3.354 20 10 FGCDMN Cc1cc(N(C)C)ccc1CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000840911416 730190329 /nfs/dbraw/zinc/19/03/29/730190329.db2.gz ZUUZKFMWPOCWGE-UHFFFAOYSA-N 0 1 357.523 3.471 20 10 FGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000840917816 730191256 /nfs/dbraw/zinc/19/12/56/730191256.db2.gz NLONKCABBVRBRS-GFCCVEGCSA-N 0 1 362.817 3.344 20 10 FGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000840917816 730191265 /nfs/dbraw/zinc/19/12/65/730191265.db2.gz NLONKCABBVRBRS-GFCCVEGCSA-N 0 1 362.817 3.344 20 10 FGCDMN Cc1cc(O)c(CNCc2ccncc2OC[C@H]2CCOC2)c(Cl)c1 ZINC000840945470 730195018 /nfs/dbraw/zinc/19/50/18/730195018.db2.gz OXUXXZWBKICKMI-AWEZNQCLSA-N 0 1 362.857 3.454 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(Cl)c1 ZINC000840953588 730196278 /nfs/dbraw/zinc/19/62/78/730196278.db2.gz VMTANEPYNJEEIJ-ZDUSSCGKSA-N 0 1 370.877 3.080 20 10 FGCDMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc3c(c2)CCO3)c1 ZINC000840955957 730197038 /nfs/dbraw/zinc/19/70/38/730197038.db2.gz CPRMPRAAVUTETB-UHFFFAOYSA-N 0 1 365.882 3.358 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(Cl)cc1[O-] ZINC000841747330 730270174 /nfs/dbraw/zinc/27/01/74/730270174.db2.gz AMQDIIRIODFXPH-NSHDSACASA-N 0 1 351.855 3.226 20 10 FGCDMN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841746407 730270184 /nfs/dbraw/zinc/27/01/84/730270184.db2.gz GHGDASWVFAQEAG-NWDGAFQWSA-N 0 1 368.886 3.366 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1[O-] ZINC000841758531 730271237 /nfs/dbraw/zinc/27/12/37/730271237.db2.gz SSARJWNHFAIKQZ-NEPJUHHUSA-N 0 1 351.855 3.267 20 10 FGCDMN CCN(CCNC(=O)NCc1cc(Cl)ccc1O)CCC(F)(F)F ZINC000845148533 730813527 /nfs/dbraw/zinc/81/35/27/730813527.db2.gz QUWGRVSVUVLURH-UHFFFAOYSA-N 0 1 367.799 3.119 20 10 FGCDMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc(O)c3O)C2)s1 ZINC000846102151 730929098 /nfs/dbraw/zinc/92/90/98/730929098.db2.gz QEMUHNXYJNGTSN-CQSZACIVSA-N 0 1 360.479 3.062 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1cc(Br)ccc1[O-] ZINC000846207779 730936499 /nfs/dbraw/zinc/93/64/99/730936499.db2.gz FHGSRPKQAZWMKK-SMDDNHRTSA-N 0 1 355.276 3.064 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000848557983 731181552 /nfs/dbraw/zinc/18/15/52/731181552.db2.gz MGRAFYFWGFKBMS-YIYPIFLZSA-N 0 1 371.319 3.303 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850559035 731373184 /nfs/dbraw/zinc/37/31/84/731373184.db2.gz WDXZEUXEZOWQSV-NWDGAFQWSA-N 0 1 369.303 3.452 20 10 FGCDMN Cn1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(Cl)n1 ZINC000856772032 732057885 /nfs/dbraw/zinc/05/78/85/732057885.db2.gz NEOHGCDOCHVKOI-ZDUSSCGKSA-N 0 1 370.831 3.434 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000858102285 732180957 /nfs/dbraw/zinc/18/09/57/732180957.db2.gz DKJPUCLJFOXULD-UHFFFAOYSA-N 0 1 366.211 3.052 20 10 FGCDMN O=C(CC[NH2+]Cc1c([O-])cccc1Br)N1CCCCCC1 ZINC000858117500 732182227 /nfs/dbraw/zinc/18/22/27/732182227.db2.gz QDLSTAYLNYPLIK-UHFFFAOYSA-N 0 1 355.276 3.037 20 10 FGCDMN Cc1cc(=O)[nH]c(C(C)(C)NCc2cc(Br)cc(C)c2O)n1 ZINC000862432563 732834750 /nfs/dbraw/zinc/83/47/50/732834750.db2.gz IMDNBZCVYVRRCC-UHFFFAOYSA-N 0 1 366.259 3.292 20 10 FGCDMN CC[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000886670582 739280935 /nfs/dbraw/zinc/28/09/35/739280935.db2.gz ROSQHKHCXQUTCE-NFAWXSAZSA-N 0 1 358.276 3.125 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)ccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000892668865 740029732 /nfs/dbraw/zinc/02/97/32/740029732.db2.gz SKTUVFMSSQPRHF-UHFFFAOYSA-N 0 1 361.829 3.375 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000895052791 742369038 /nfs/dbraw/zinc/36/90/38/742369038.db2.gz APXNEBNOCMUOEX-GFCCVEGCSA-N 0 1 371.666 3.237 20 10 FGCDMN COc1cc(C)cc(CNCc2cc(Br)cnc2OC)c1O ZINC000895392791 742406325 /nfs/dbraw/zinc/40/63/25/742406325.db2.gz CJQQTVUJDOSWKC-UHFFFAOYSA-N 0 1 367.243 3.165 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898722948 742826351 /nfs/dbraw/zinc/82/63/51/742826351.db2.gz AHDMHXJUMLGCQX-NSHDSACASA-N 0 1 356.651 3.109 20 10 FGCDMN C[C@H]1C[C@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000903153525 743813748 /nfs/dbraw/zinc/81/37/48/743813748.db2.gz GFFQHKSGSITACE-CLTVBZQCSA-N 0 1 355.475 3.273 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc(C2CC2)[nH]c1=O ZINC000908212973 744270950 /nfs/dbraw/zinc/27/09/50/744270950.db2.gz STIUSGSQTCDXSM-UHFFFAOYSA-N 0 1 354.193 3.002 20 10 FGCDMN Cc1nn(CC(F)F)cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000935991169 761986205 /nfs/dbraw/zinc/98/62/05/761986205.db2.gz DATLWIQZMOEXJP-UHFFFAOYSA-N 0 1 364.179 3.399 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000927105578 759892330 /nfs/dbraw/zinc/89/23/30/759892330.db2.gz UCCKSOIXBDQRFX-SWLSCSKDSA-N 0 1 369.303 3.059 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000927148331 759907309 /nfs/dbraw/zinc/90/73/09/759907309.db2.gz WMKYHTHDBZJYDX-AAEUAGOBSA-N 0 1 354.376 3.138 20 10 FGCDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000089512655 494319208 /nfs/dbraw/zinc/31/92/08/494319208.db2.gz WRNWVEOSIXGWFA-AWEZNQCLSA-N 0 1 359.401 3.421 20 10 FGCDMN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092011284 494754743 /nfs/dbraw/zinc/75/47/43/494754743.db2.gz NNHDSWIZOQAQBG-ZBEGNZNMSA-N 0 1 370.280 3.378 20 10 FGCDMN CCN(Cc1cnc2cnccn12)Cc1cc(Br)ccc1O ZINC000093866942 494928629 /nfs/dbraw/zinc/92/86/29/494928629.db2.gz NSMNWROGTOAAKV-UHFFFAOYSA-N 0 1 361.243 3.220 20 10 FGCDMN CCN1CCN(c2ccc(CNc3ccnc(C4CC4)n3)cc2F)CC1 ZINC000110586742 494992508 /nfs/dbraw/zinc/99/25/08/494992508.db2.gz JTFQIWZJPHYCRS-UHFFFAOYSA-N 0 1 355.461 3.247 20 10 FGCDMN COc1ccc(CN(C)C(=O)[C@H](C)N(C)Cc2ccccc2O)cc1F ZINC000111235660 495053360 /nfs/dbraw/zinc/05/33/60/495053360.db2.gz WIVWWBWFJVHLCJ-AWEZNQCLSA-N 0 1 360.429 3.019 20 10 FGCDMN CC(=O)Nc1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000179530481 495630161 /nfs/dbraw/zinc/63/01/61/495630161.db2.gz FMQNVUUUGASQBS-UHFFFAOYSA-N 0 1 365.477 3.040 20 10 FGCDMN C[S@](=O)C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000154743748 495715311 /nfs/dbraw/zinc/71/53/11/495715311.db2.gz ZSPAUNOBAKDJFT-QVKFZJNVSA-N 0 1 368.296 3.364 20 10 FGCDMN CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000186376732 495972129 /nfs/dbraw/zinc/97/21/29/495972129.db2.gz XUDPHZGFICMKDG-CYBMUJFWSA-N 0 1 374.934 3.146 20 10 FGCDMN COc1ccc2c(c1)nc(CNCc1cc(Cl)cc(OC)c1O)n2C ZINC000186555348 496042821 /nfs/dbraw/zinc/04/28/21/496042821.db2.gz SDTJDFGRMPWZTM-UHFFFAOYSA-N 0 1 361.829 3.239 20 10 FGCDMN COC(C)(C)CN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000569064780 505842641 /nfs/dbraw/zinc/84/26/41/505842641.db2.gz KANUJPQVAWNIEE-UHFFFAOYSA-N 0 1 371.525 3.291 20 10 FGCDMN C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187798581 496575817 /nfs/dbraw/zinc/57/58/17/496575817.db2.gz OOGWCWZAYQQBQT-DQYPLSBCSA-N 0 1 354.441 3.089 20 10 FGCDMN CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000184982919 496610922 /nfs/dbraw/zinc/61/09/22/496610922.db2.gz FWVIBZSJUIYYFM-GFCCVEGCSA-N 0 1 369.303 3.452 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000185063569 496643339 /nfs/dbraw/zinc/64/33/39/496643339.db2.gz CYCXRZIFHVIILK-ZDUSSCGKSA-N 0 1 362.857 3.363 20 10 FGCDMN CCOc1cccc(CNC(C)(C)c2cn(-c3ccccc3)nn2)c1O ZINC000154055274 496669741 /nfs/dbraw/zinc/66/97/41/496669741.db2.gz YEMLKPRGYHKTDJ-UHFFFAOYSA-N 0 1 352.438 3.397 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Cl)ccc1[O-] ZINC000273383084 496790114 /nfs/dbraw/zinc/79/01/14/496790114.db2.gz CGRODFXKTIDOSJ-DYVFJYSZSA-N 0 1 359.857 3.282 20 10 FGCDMN CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000277514013 496799633 /nfs/dbraw/zinc/79/96/33/496799633.db2.gz WSHBVLVQDRPRJR-DTWKUNHWSA-N 0 1 353.810 3.436 20 10 FGCDMN CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1 ZINC000273591932 496848230 /nfs/dbraw/zinc/84/82/30/496848230.db2.gz PNCUFEDXIILKSY-RKVPGOIHSA-N 0 1 365.474 3.088 20 10 FGCDMN CCN(Cc1ccccc1)c1ccc(CN[C@@H](CO)c2cnn(C)c2)cc1 ZINC000270277374 497092055 /nfs/dbraw/zinc/09/20/55/497092055.db2.gz YWBDQJPBPAYTGM-QFIPXVFZSA-N 0 1 364.493 3.270 20 10 FGCDMN Cc1ccc(F)c(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000265346229 497104613 /nfs/dbraw/zinc/10/46/13/497104613.db2.gz DDONYRXELNSZIQ-GDNBJRDFSA-N 0 1 350.484 3.430 20 10 FGCDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc(O)c4O)C3)[nH]c2c1 ZINC000192998684 497270014 /nfs/dbraw/zinc/27/00/14/497270014.db2.gz QETDZKZJWLRCIB-ZDUSSCGKSA-N 0 1 351.406 3.302 20 10 FGCDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000279570020 497475189 /nfs/dbraw/zinc/47/51/89/497475189.db2.gz SSIRACLFZMUJTI-CHWSQXEVSA-N 0 1 353.426 3.301 20 10 FGCDMN Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000279620730 497489259 /nfs/dbraw/zinc/48/92/59/497489259.db2.gz YGTZTUNBFBLVSM-NWDGAFQWSA-N 0 1 368.397 3.201 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1[O-] ZINC000289199452 498056630 /nfs/dbraw/zinc/05/66/30/498056630.db2.gz BFQSSPZQJBZLKH-CYBMUJFWSA-N 0 1 368.739 3.233 20 10 FGCDMN CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000281267283 498081277 /nfs/dbraw/zinc/08/12/77/498081277.db2.gz WUGMPPMGQDYTPI-WCQYABFASA-N 0 1 355.276 3.064 20 10 FGCDMN CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc(F)c2[O-])[C@@H]1c1cnn(C)c1 ZINC000364714334 498108343 /nfs/dbraw/zinc/10/83/43/498108343.db2.gz HKUXJIVAESNYGO-HNAYVOBHSA-N 0 1 360.477 3.170 20 10 FGCDMN CCCOc1ccc(CNCc2cc(C)nc(N3CCCC3)n2)c(O)c1 ZINC000292799956 498151740 /nfs/dbraw/zinc/15/17/40/498151740.db2.gz NKEZGQGNMBCLOZ-UHFFFAOYSA-N 0 1 356.470 3.169 20 10 FGCDMN Oc1ccc(Br)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289537473 498185739 /nfs/dbraw/zinc/18/57/39/498185739.db2.gz HWFHLDWBBQUBLP-ZDUSSCGKSA-N 0 1 368.193 3.434 20 10 FGCDMN CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000297407637 498438022 /nfs/dbraw/zinc/43/80/22/498438022.db2.gz SZDPRWHMVACEBW-TZMCWYRMSA-N 0 1 354.237 3.361 20 10 FGCDMN Cc1cc([C@@H]2CCCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)n[nH]1 ZINC000282804784 498661099 /nfs/dbraw/zinc/66/10/99/498661099.db2.gz QMVPVLCTRWKUQZ-GOSISDBHSA-N 0 1 365.481 3.184 20 10 FGCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cn[nH]c1 ZINC000284076702 499043838 /nfs/dbraw/zinc/04/38/38/499043838.db2.gz LPRMJYHLOBEUGR-LBPRGKRZSA-N 0 1 354.376 3.116 20 10 FGCDMN O=S1(=O)CCN(Cc2cccc(Cl)c2O)[C@@H](c2ccccc2)C1 ZINC000373222975 499458468 /nfs/dbraw/zinc/45/84/68/499458468.db2.gz FJQPERGEYXTXJJ-MRXNPFEDSA-N 0 1 351.855 3.017 20 10 FGCDMN CN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000375451511 499520967 /nfs/dbraw/zinc/52/09/67/499520967.db2.gz UZAITORIEYMBCC-CYBMUJFWSA-N 0 1 355.818 3.145 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000377088163 499660676 /nfs/dbraw/zinc/66/06/76/499660676.db2.gz HAVXZJXSMJSVGT-GFCCVEGCSA-N 0 1 365.216 3.441 20 10 FGCDMN COc1cc(Cl)cc(CN2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000377680322 499718995 /nfs/dbraw/zinc/71/89/95/499718995.db2.gz UWPULVGATVUKMV-HNNXBMFYSA-N 0 1 366.845 3.450 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccccn2)C1 ZINC000435542551 500990060 /nfs/dbraw/zinc/99/00/60/500990060.db2.gz FDOSHAULMXZMSX-UHFFFAOYSA-N 0 1 362.477 3.466 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]2C2CC2)C1 ZINC000452484047 501510604 /nfs/dbraw/zinc/51/06/04/501510604.db2.gz CIALTTAULOZNKE-LJQANCHMSA-N 0 1 351.494 3.419 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCSC2)C1 ZINC000468464805 502067526 /nfs/dbraw/zinc/06/75/26/502067526.db2.gz CVHADVUQGBMLJI-INIZCTEOSA-N 0 1 371.550 3.277 20 10 FGCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)[C@@H](C(C)C)C3)ccc21 ZINC000489312683 502926205 /nfs/dbraw/zinc/92/62/05/502926205.db2.gz GYOASNZNRCRCQD-OAQYLSRUSA-N 0 1 371.525 3.317 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cn[nH]c2)C1 ZINC000564283530 505371277 /nfs/dbraw/zinc/37/12/77/505371277.db2.gz RALUSPXICRDPPX-HNNXBMFYSA-N 0 1 365.481 3.008 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H]2Cn2cccn2)c1O ZINC000740097644 600427127 /nfs/dbraw/zinc/42/71/27/600427127.db2.gz OSDFOENKTAFDHL-HNNXBMFYSA-N 0 1 351.406 3.105 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c1O ZINC000740097668 600559952 /nfs/dbraw/zinc/55/99/52/600559952.db2.gz PLTCEDPYQCZHLG-AWEZNQCLSA-N 0 1 355.312 3.007 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c1O ZINC000740097668 600559955 /nfs/dbraw/zinc/55/99/55/600559955.db2.gz PLTCEDPYQCZHLG-AWEZNQCLSA-N 0 1 355.312 3.007 20 10 FGCDMN CC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1cc(Br)ccc1O ZINC000829718967 600857068 /nfs/dbraw/zinc/85/70/68/600857068.db2.gz SWNVVIQJXKETCJ-UHFFFAOYSA-N 0 1 354.200 3.468 20 10 FGCDMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829163601 601254019 /nfs/dbraw/zinc/25/40/19/601254019.db2.gz YHEBJTYYRRRMLD-JDFMTEHDSA-N 0 1 359.426 3.146 20 10 FGCDMN COc1cc(Br)cc(CN(C)Cc2c(C)noc2C)c1O ZINC000091812505 700426155 /nfs/dbraw/zinc/42/61/55/700426155.db2.gz IZIBOXVQGYIPHR-UHFFFAOYSA-N 0 1 355.232 3.400 20 10 FGCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093414029 700451239 /nfs/dbraw/zinc/45/12/39/700451239.db2.gz VMCQGNDSQWOJSV-JTQLQIEISA-N 0 1 354.299 3.344 20 10 FGCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093414029 700451241 /nfs/dbraw/zinc/45/12/41/700451241.db2.gz VMCQGNDSQWOJSV-JTQLQIEISA-N 0 1 354.299 3.344 20 10 FGCDMN Cc1csc(N2CCN(Cc3cccc(Br)c3O)CC2)n1 ZINC000133864582 704807161 /nfs/dbraw/zinc/80/71/61/704807161.db2.gz DBZIDVSZHLPDRL-UHFFFAOYSA-N 0 1 368.300 3.242 20 10 FGCDMN OCCN(Cc1ccccc1O)Cc1cc(Br)ccc1F ZINC000179566487 705705582 /nfs/dbraw/zinc/70/55/82/705705582.db2.gz IEARUYFKBTUJEW-UHFFFAOYSA-N 0 1 354.219 3.288 20 10 FGCDMN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000235155852 713579657 /nfs/dbraw/zinc/57/96/57/713579657.db2.gz LCGPTXNUVZSBFW-JTQLQIEISA-N 0 1 359.264 3.158 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245720466 713610645 /nfs/dbraw/zinc/61/06/45/713610645.db2.gz HVYQCXOOSUUVAN-WOJBJXKFSA-N 0 1 364.555 3.465 20 10 FGCDMN CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000381814549 713979154 /nfs/dbraw/zinc/97/91/54/713979154.db2.gz FTZWCKVNRCRTAT-PLNGDYQASA-N 0 1 371.275 3.325 20 10 FGCDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781900945 724609389 /nfs/dbraw/zinc/60/93/89/724609389.db2.gz OVKIBYJYGFDTDK-GFCCVEGCSA-N 0 1 356.260 3.238 20 10 FGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000725849754 722424877 /nfs/dbraw/zinc/42/48/77/722424877.db2.gz WXDLPPSFHNMDSN-NSHDSACASA-N 0 1 354.859 3.268 20 10 FGCDMN Cc1cc(C(=O)N2CCc3[nH]nnc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000742202906 722553371 /nfs/dbraw/zinc/55/33/71/722553371.db2.gz AXRXGRHLAMCIIF-UHFFFAOYSA-N 0 1 355.829 3.064 20 10 FGCDMN Cc1nc(N2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)sc1C ZINC000753972629 722921142 /nfs/dbraw/zinc/92/11/42/722921142.db2.gz MJCNKCVIFNXBMU-UHFFFAOYSA-N 0 1 354.479 3.336 20 10 FGCDMN CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCC1 ZINC000754105928 722927729 /nfs/dbraw/zinc/92/77/29/722927729.db2.gz QMJJEPDIEWUZBU-NSHDSACASA-N 0 1 355.276 3.112 20 10 FGCDMN C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(Br)cc1[O-] ZINC000756478998 722965341 /nfs/dbraw/zinc/96/53/41/722965341.db2.gz KVDOLUJXEOGUAO-NSHDSACASA-N 0 1 364.243 3.229 20 10 FGCDMN COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000756529314 722966229 /nfs/dbraw/zinc/96/62/29/722966229.db2.gz SEECBYZAUMUMJM-CMPLNLGQSA-N 0 1 357.248 3.036 20 10 FGCDMN COc1cc(Br)cc(CN2CCOCC3(CCC3)C2)c1O ZINC000761227087 723134705 /nfs/dbraw/zinc/13/47/05/723134705.db2.gz XOCRSXDICBTANH-UHFFFAOYSA-N 0 1 356.260 3.166 20 10 FGCDMN COCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000762001650 723205366 /nfs/dbraw/zinc/20/53/66/723205366.db2.gz VMNWFGWQMIYJQH-UHFFFAOYSA-N 0 1 351.424 3.127 20 10 FGCDMN COc1cc(Br)cc(CN(CCO)Cc2ccc(C)o2)c1O ZINC000793366410 723431387 /nfs/dbraw/zinc/43/13/87/723431387.db2.gz SEUDZWUSFGSMLS-UHFFFAOYSA-N 0 1 370.243 3.059 20 10 FGCDMN CCCCCC[N@H+](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765733227 723536366 /nfs/dbraw/zinc/53/63/66/723536366.db2.gz VRORZEGLVLULJZ-UHFFFAOYSA-N 0 1 357.292 3.283 20 10 FGCDMN CCCCCC[N@@H+](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765733227 723536368 /nfs/dbraw/zinc/53/63/68/723536368.db2.gz VRORZEGLVLULJZ-UHFFFAOYSA-N 0 1 357.292 3.283 20 10 FGCDMN Cc1ccncc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771064705 723727053 /nfs/dbraw/zinc/72/70/53/723727053.db2.gz KNQQJIMFWBAIAJ-MRXNPFEDSA-N 0 1 359.857 3.143 20 10 FGCDMN COc1c([O-])c(C[N@H+](C)CCOc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000774820537 723933131 /nfs/dbraw/zinc/93/31/31/723933131.db2.gz AHFAAYVLMGCXLX-UHFFFAOYSA-N 0 1 366.801 3.473 20 10 FGCDMN COc1c([O-])c(C[N@@H+](C)CCOc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000774820537 723933132 /nfs/dbraw/zinc/93/31/32/723933132.db2.gz AHFAAYVLMGCXLX-UHFFFAOYSA-N 0 1 366.801 3.473 20 10 FGCDMN CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cc(Cl)ccc1[O-] ZINC000775492241 723995671 /nfs/dbraw/zinc/99/56/71/723995671.db2.gz NUPDNTUFBWXPQG-MRXNPFEDSA-N 0 1 368.886 3.195 20 10 FGCDMN CCCS(=O)(=O)N1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2[O-])CC1 ZINC000775491248 723995746 /nfs/dbraw/zinc/99/57/46/723995746.db2.gz DNGPOZAMFNFWMD-MRXNPFEDSA-N 0 1 374.934 3.291 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Br)ccc1[O-] ZINC000775526857 723998184 /nfs/dbraw/zinc/99/81/84/723998184.db2.gz MFENRBVFANXISW-MMMKDXCPSA-N 0 1 367.287 3.205 20 10 FGCDMN CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1cc(Cl)ccc1[O-] ZINC000775539001 723998677 /nfs/dbraw/zinc/99/86/77/723998677.db2.gz BPRGGMVMZCDPBT-HOTGVXAUSA-N 0 1 356.894 3.264 20 10 FGCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000775555071 723999825 /nfs/dbraw/zinc/99/98/25/723999825.db2.gz IEENIDWIPHEFJA-OFQRWUPVSA-N 0 1 358.276 3.389 20 10 FGCDMN CC(C)(C)c1nc(CN2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000775709130 724029065 /nfs/dbraw/zinc/02/90/65/724029065.db2.gz DUGLOPJEPRWNOK-UHFFFAOYSA-N 0 1 364.877 3.044 20 10 FGCDMN CC(C)(C)c1nc(CN2CCN(Cc3cccc(Cl)c3O)CC2)no1 ZINC000775709130 724029071 /nfs/dbraw/zinc/02/90/71/724029071.db2.gz DUGLOPJEPRWNOK-UHFFFAOYSA-N 0 1 364.877 3.044 20 10 FGCDMN CCS(=O)(=O)C[C@H](C)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800492680 724202523 /nfs/dbraw/zinc/20/25/23/724202523.db2.gz DYQYVDQEFCBBPD-GJZGRUSLSA-N 0 1 372.962 3.489 20 10 FGCDMN C[C@H](CS(C)(=O)=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800493661 724202921 /nfs/dbraw/zinc/20/29/21/724202921.db2.gz PFYGRTIFXHGFHM-UONOGXRCSA-N 0 1 358.935 3.099 20 10 FGCDMN Oc1c(Cl)cc(Cl)cc1CNC(=S)NCCc1cccnc1 ZINC000806598093 725136427 /nfs/dbraw/zinc/13/64/27/725136427.db2.gz GWJOMWYZOZKLDI-UHFFFAOYSA-N 0 1 356.278 3.301 20 10 FGCDMN CCOC(=O)[C@H](CCOC(C)(C)C)NCc1cc(Cl)cc(F)c1O ZINC000789579324 725137294 /nfs/dbraw/zinc/13/72/94/725137294.db2.gz XAMCIAKKLHFAMO-AWEZNQCLSA-N 0 1 361.841 3.411 20 10 FGCDMN O=C(NCCc1ccc(O)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000806649952 725139423 /nfs/dbraw/zinc/13/94/23/725139423.db2.gz LLMIAGIXXYVVDN-UHFFFAOYSA-N 0 1 355.221 3.447 20 10 FGCDMN COC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000806898813 725148161 /nfs/dbraw/zinc/14/81/61/725148161.db2.gz NKPZTSPOXZDYFW-GFCCVEGCSA-N 0 1 359.209 3.479 20 10 FGCDMN Cn1c(=O)[nH]c2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000807837072 725171519 /nfs/dbraw/zinc/17/15/19/725171519.db2.gz ZZLZOHKYTCHTFB-UHFFFAOYSA-N 0 1 366.204 3.221 20 10 FGCDMN O=C(Cc1n[nH]c2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC000807837420 725171606 /nfs/dbraw/zinc/17/16/06/725171606.db2.gz PIXIVFIOERYDOK-UHFFFAOYSA-N 0 1 350.205 3.434 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2n[nH]nc2cc1F ZINC000807838459 725171735 /nfs/dbraw/zinc/17/17/35/725171735.db2.gz RZSOULKJRXQOCO-UHFFFAOYSA-N 0 1 355.156 3.039 20 10 FGCDMN O=C(CNC(=O)CC1CCCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839136 725172099 /nfs/dbraw/zinc/17/20/99/725172099.db2.gz XRTPYHHHSDSDHR-UHFFFAOYSA-N 0 1 373.280 3.402 20 10 FGCDMN CN1CCOc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc21 ZINC000807840422 725172281 /nfs/dbraw/zinc/17/22/81/725172281.db2.gz BZZDVXPYWCNNSW-UHFFFAOYSA-N 0 1 367.232 3.458 20 10 FGCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc2c(c1)CCCO2 ZINC000808115223 725184592 /nfs/dbraw/zinc/18/45/92/725184592.db2.gz TWMGWUSEDAQVPK-UHFFFAOYSA-N 0 1 357.790 3.311 20 10 FGCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(C)cc(Br)c4[O-])[C@H]1[C@H]3C2 ZINC000809697032 725259688 /nfs/dbraw/zinc/25/96/88/725259688.db2.gz BOTNQXOHNDYKEC-SXCOJBNFSA-N 0 1 352.272 3.318 20 10 FGCDMN CNC(=O)OC[C@H]1CCCCN1Cc1cc(Br)cc(C)c1O ZINC000809779355 725268019 /nfs/dbraw/zinc/26/80/19/725268019.db2.gz KQXFBIAFTJGSJN-CQSZACIVSA-N 0 1 371.275 3.174 20 10 FGCDMN CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211477 725296997 /nfs/dbraw/zinc/29/69/97/725296997.db2.gz CMURNOWOTALRDN-JTQLQIEISA-N 0 1 358.282 3.130 20 10 FGCDMN COc1ccc(CNCc2cn3ccc(Br)cc3n2)c(O)c1 ZINC000811499354 725369670 /nfs/dbraw/zinc/36/96/70/725369670.db2.gz MUNJWTPOOKKAKS-UHFFFAOYSA-N 0 1 362.227 3.101 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000811519020 725372338 /nfs/dbraw/zinc/37/23/38/725372338.db2.gz RVRNUUHZSRPVAX-ZBFHGGJFSA-N 0 1 352.818 3.487 20 10 FGCDMN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000813684212 726904884 /nfs/dbraw/zinc/90/48/84/726904884.db2.gz MKWCMNWUSNKYES-DUXPYHPUSA-N 0 1 354.189 3.440 20 10 FGCDMN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000815633025 727087687 /nfs/dbraw/zinc/08/76/87/727087687.db2.gz DNNAZELCJNEHFS-RYUDHWBXSA-N 0 1 357.292 3.358 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000816502439 727168850 /nfs/dbraw/zinc/16/88/50/727168850.db2.gz AXJCXPADPVUAJB-UHFFFAOYSA-N 0 1 355.866 3.349 20 10 FGCDMN CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1=O ZINC000817589895 727268873 /nfs/dbraw/zinc/26/88/73/727268873.db2.gz RACBOLUCSFQKDP-VXGBXAGGSA-N 0 1 355.276 3.064 20 10 FGCDMN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)cc1 ZINC000819581836 727383519 /nfs/dbraw/zinc/38/35/19/727383519.db2.gz BAEUEVDVPCVKKY-CYBMUJFWSA-N 0 1 360.841 3.311 20 10 FGCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@](C)(O)c1ccccc1 ZINC000822516344 729188610 /nfs/dbraw/zinc/18/86/10/729188610.db2.gz LPOLEFGVICGFGE-KRWDZBQOSA-N 0 1 350.256 3.494 20 10 FGCDMN O=C1CCCCN1C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824888328 729363768 /nfs/dbraw/zinc/36/37/68/729363768.db2.gz ALCDOIZMQHIXIS-UHFFFAOYSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCCN1C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824888328 729363769 /nfs/dbraw/zinc/36/37/69/729363769.db2.gz ALCDOIZMQHIXIS-UHFFFAOYSA-N 0 1 367.287 3.132 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000825038228 729368764 /nfs/dbraw/zinc/36/87/64/729368764.db2.gz VLZBYIQXIBZDNH-UHFFFAOYSA-N 0 1 350.212 3.216 20 10 FGCDMN O=C(CC1CCCCC1)NCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825273317 729376535 /nfs/dbraw/zinc/37/65/35/729376535.db2.gz GTACCHXCWCLHRC-UHFFFAOYSA-N 0 1 369.303 3.331 20 10 FGCDMN C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])c1ccc(F)cc1F ZINC000825283174 729377029 /nfs/dbraw/zinc/37/70/29/729377029.db2.gz HEOXSDPPFZJXEF-MRXNPFEDSA-N 0 1 372.209 3.430 20 10 FGCDMN CC(C)([NH2+]Cc1ccc(Br)cc1[O-])C(=O)NCC1CCCC1 ZINC000825375719 729380719 /nfs/dbraw/zinc/38/07/19/729380719.db2.gz QBXUBVJRKDEGBY-UHFFFAOYSA-N 0 1 369.303 3.329 20 10 FGCDMN C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825451567 729383891 /nfs/dbraw/zinc/38/38/91/729383891.db2.gz XEWWZEBQHGOJHB-YCRPNKLZSA-N 0 1 368.296 3.364 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000825944139 729400325 /nfs/dbraw/zinc/40/03/25/729400325.db2.gz RAUPAUVLIVXCGK-SJLPKXTDSA-N 0 1 362.267 3.411 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000825944140 729400335 /nfs/dbraw/zinc/40/03/35/729400335.db2.gz RAUPAUVLIVXCGK-WMZOPIPTSA-N 0 1 362.267 3.411 20 10 FGCDMN CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834827519 729837211 /nfs/dbraw/zinc/83/72/11/729837211.db2.gz KIDQTTHGMLYHSF-RISCZKNCSA-N 0 1 354.237 3.361 20 10 FGCDMN CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834856516 729839381 /nfs/dbraw/zinc/83/93/81/729839381.db2.gz RQJHTYJOQXBSNP-MRXNPFEDSA-N 0 1 357.878 3.299 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000834882141 729841982 /nfs/dbraw/zinc/84/19/82/729841982.db2.gz IKOXLAIXMLTNAD-GFCCVEGCSA-N 0 1 368.886 3.147 20 10 FGCDMN CCn1ccnc1[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000836628706 729963207 /nfs/dbraw/zinc/96/32/07/729963207.db2.gz VRYUFANZJCJERU-VIFPVBQESA-N 0 1 357.241 3.476 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCS(=O)(=O)Cc2ccccc2)c(Cl)c1 ZINC000840884326 730188148 /nfs/dbraw/zinc/18/81/48/730188148.db2.gz JYSRKAHQGAECIL-UHFFFAOYSA-N 0 1 353.871 3.059 20 10 FGCDMN COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840899939 730189162 /nfs/dbraw/zinc/18/91/62/730189162.db2.gz QIQUAUUSWTWZJN-SFHVURJKSA-N 0 1 351.830 3.194 20 10 FGCDMN Cc1cc([O-])c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Cl)c1 ZINC000840940486 730194437 /nfs/dbraw/zinc/19/44/37/730194437.db2.gz BRQVEJAMHNPFFA-UHFFFAOYSA-N 0 1 350.806 3.296 20 10 FGCDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C(F)(F)F ZINC000840998780 730202622 /nfs/dbraw/zinc/20/26/22/730202622.db2.gz XDFGVVLEWZVZDZ-HZPDHXFCSA-N 0 1 356.388 3.372 20 10 FGCDMN O=C(NCc1ccccc1)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843428727 730619816 /nfs/dbraw/zinc/61/98/16/730619816.db2.gz MMKCSLYQBUNVQA-AWEZNQCLSA-N 0 1 362.832 3.323 20 10 FGCDMN COc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c(F)c1 ZINC000844268241 730696301 /nfs/dbraw/zinc/69/63/01/730696301.db2.gz HDUVWDKHKZRYFD-DHDCSXOGSA-N 0 1 366.483 3.130 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000848563582 731182401 /nfs/dbraw/zinc/18/24/01/731182401.db2.gz VJXDBGGNGGARMG-AAEUAGOBSA-N 0 1 354.376 3.138 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1[O-] ZINC000848573672 731184568 /nfs/dbraw/zinc/18/45/68/731184568.db2.gz IPPDHTKZOFPCJI-OCCSQVGLSA-N 0 1 358.360 3.435 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850404381 731353007 /nfs/dbraw/zinc/35/30/07/731353007.db2.gz KSFCEOVNNNEQTF-UHFFFAOYSA-N 0 1 350.203 3.185 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(Br)cc1[O-] ZINC000850503817 731366130 /nfs/dbraw/zinc/36/61/30/731366130.db2.gz ZABBKUKKSXRFDB-SPQIJUHKSA-N 0 1 360.317 3.495 20 10 FGCDMN C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(Br)cc1[O-] ZINC000850557060 731372855 /nfs/dbraw/zinc/37/28/55/731372855.db2.gz KPJQNZYIISRDQT-IUODEOHRSA-N 0 1 369.303 3.059 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(Br)cc1[O-] ZINC000850559699 731373345 /nfs/dbraw/zinc/37/33/45/731373345.db2.gz ANXRUAOSTLVVTO-PXAZEXFGSA-N 0 1 372.303 3.373 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000858162380 732187791 /nfs/dbraw/zinc/18/77/91/732187791.db2.gz YYHNPSRWDQTLGN-CQSZACIVSA-N 0 1 350.256 3.238 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]CC1CCN(CC(F)F)CC1 ZINC000858196100 732191597 /nfs/dbraw/zinc/19/15/97/732191597.db2.gz JPUJUFDMLOTQKV-UHFFFAOYSA-N 0 1 363.246 3.221 20 10 FGCDMN CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000858505543 732221592 /nfs/dbraw/zinc/22/15/92/732221592.db2.gz MBRACTICESXPDZ-GXFFZTMASA-N 0 1 354.244 3.457 20 10 FGCDMN CCOC(=O)C1=CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000858785906 732247534 /nfs/dbraw/zinc/24/75/34/732247534.db2.gz LSJVTTDXBWCTRG-LBPRGKRZSA-N 0 1 373.236 3.150 20 10 FGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862403268 732825772 /nfs/dbraw/zinc/82/57/72/732825772.db2.gz OLCKLAOBXXIDRF-WBMJQRKESA-N 0 1 370.877 3.160 20 10 FGCDMN Cc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(F)c1 ZINC000864355749 733049309 /nfs/dbraw/zinc/04/93/09/733049309.db2.gz JGQPEVYZEBLMRY-XNTDXEJSSA-N 0 1 350.484 3.430 20 10 FGCDMN FC(F)(F)[C@@H](CNCc1ccc(N2CCCCC2)cc1)n1cncn1 ZINC000865682300 733251319 /nfs/dbraw/zinc/25/13/19/733251319.db2.gz CAWMUQDNOIEDDM-MRXNPFEDSA-N 0 1 353.392 3.162 20 10 FGCDMN CCO[C@@H]1COCC[C@H]1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000868358065 733586146 /nfs/dbraw/zinc/58/61/46/733586146.db2.gz LEQMSUFWZBJXMR-IINYFYTJSA-N 0 1 362.253 3.147 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228085 735740214 /nfs/dbraw/zinc/74/02/14/735740214.db2.gz PFASZCUFTGJNOR-GHMZBOCLSA-N 0 1 367.209 3.032 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645432 736699225 /nfs/dbraw/zinc/69/92/25/736699225.db2.gz KWPIRIVQZCNVCK-OAHLLOKOSA-N 0 1 363.255 3.341 20 10 FGCDMN Oc1ccc(Br)cc1CN1CC[C@H](OCc2ccccn2)C1 ZINC000877645438 736699276 /nfs/dbraw/zinc/69/92/76/736699276.db2.gz LAAPGGHHAZDUSN-INIZCTEOSA-N 0 1 363.255 3.341 20 10 FGCDMN CN1CCN(c2ccc(CNC(=O)CC(C)(C)C(F)(F)F)cc2)CC1 ZINC000881854131 737390065 /nfs/dbraw/zinc/39/00/65/737390065.db2.gz TWBSKMXURXTLOI-UHFFFAOYSA-N 0 1 357.420 3.033 20 10 FGCDMN C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(Br)ccc1[O-] ZINC000883276599 737545057 /nfs/dbraw/zinc/54/50/57/737545057.db2.gz NCZNIWVAOLFRLT-DGCLKSJQSA-N 0 1 354.244 3.250 20 10 FGCDMN COc1ccc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1OC ZINC000892204335 739975465 /nfs/dbraw/zinc/97/54/65/739975465.db2.gz KJBAMJFGICXMME-ZJWNCGCPSA-N 0 1 363.479 3.340 20 10 FGCDMN Oc1c(F)cc(F)cc1CN1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000894089514 742237460 /nfs/dbraw/zinc/23/74/60/742237460.db2.gz UMKVTZUSGCOFCZ-UKRRQHHQSA-N 0 1 355.406 3.056 20 10 FGCDMN CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000895714578 742445750 /nfs/dbraw/zinc/44/57/50/742445750.db2.gz VFKYHARFYUHWIY-OAGJVSPASA-N 0 1 355.356 3.479 20 10 FGCDMN C[C@@H]1Cc2cc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)ccc2O1 ZINC000899261033 742901412 /nfs/dbraw/zinc/90/14/12/742901412.db2.gz XNAOCDGNSSASRX-ZSAINHDTSA-N 0 1 374.531 3.305 20 10 FGCDMN CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Cl)ccc1[O-] ZINC000903372308 743842080 /nfs/dbraw/zinc/84/20/80/743842080.db2.gz JDHMECTWKBKCBV-OAHLLOKOSA-N 0 1 355.862 3.135 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926631230 759793482 /nfs/dbraw/zinc/79/34/82/759793482.db2.gz NEWRSYYOYHEJCQ-NDMJEZRESA-N 0 1 357.237 3.089 20 10 FGCDMN C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000926905401 759840584 /nfs/dbraw/zinc/84/05/84/759840584.db2.gz BAICJFUHIRPONS-GFCCVEGCSA-N 0 1 353.871 3.342 20 10 FGCDMN CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000927156772 759909204 /nfs/dbraw/zinc/90/92/04/759909204.db2.gz QIJAXAJFMJUYTP-BPUTZDHNSA-N 0 1 359.388 3.382 20 10 FGCDMN Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)on1 ZINC000579698928 505604294 /nfs/dbraw/zinc/60/42/94/505604294.db2.gz PRAISNXBOSIFQE-UHFFFAOYSA-N 0 1 366.465 3.021 20 10 FGCDMN COc1cccc(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1O ZINC000073442828 494372815 /nfs/dbraw/zinc/37/28/15/494372815.db2.gz HUZUIVJQNSLQGQ-MRXNPFEDSA-N 0 1 373.453 3.020 20 10 FGCDMN NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000120083229 495303738 /nfs/dbraw/zinc/30/37/38/495303738.db2.gz ROSYIFFBHJBROT-KRWDZBQOSA-N 0 1 359.857 3.107 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186144099 495872143 /nfs/dbraw/zinc/87/21/43/495872143.db2.gz YLKJELGONYLXAV-CABZTGNLSA-N 0 1 350.768 3.250 20 10 FGCDMN C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(F)c(F)c1O ZINC000278506311 497137455 /nfs/dbraw/zinc/13/74/55/497137455.db2.gz RBHAXJBKXUIHKW-NSHDSACASA-N 0 1 374.395 3.016 20 10 FGCDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000274790352 497166169 /nfs/dbraw/zinc/16/61/69/497166169.db2.gz MGMKRZGYMPZGIK-UHFFFAOYSA-N 0 1 366.395 3.035 20 10 FGCDMN Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])c(=O)n1C ZINC000279583367 497478016 /nfs/dbraw/zinc/47/80/16/497478016.db2.gz UUBWPBVRIFBKCN-LLVKDONJSA-N 0 1 351.244 3.013 20 10 FGCDMN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000279771309 497535758 /nfs/dbraw/zinc/53/57/58/497535758.db2.gz STWYPQQKIFIMCW-IRXDYDNUSA-N 0 1 359.491 3.390 20 10 FGCDMN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000279771303 497536621 /nfs/dbraw/zinc/53/66/21/497536621.db2.gz STWYPQQKIFIMCW-IAGOWNOFSA-N 0 1 359.491 3.390 20 10 FGCDMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000276647408 497619980 /nfs/dbraw/zinc/61/99/80/497619980.db2.gz WEDOAFXEEITURO-MQVJKMGUSA-N 0 1 370.424 3.162 20 10 FGCDMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000276647408 497619984 /nfs/dbraw/zinc/61/99/84/497619984.db2.gz WEDOAFXEEITURO-MQVJKMGUSA-N 0 1 370.424 3.162 20 10 FGCDMN Cc1cc(C(=O)C[NH+]2CCC(C(=O)[O-])CC2)c(C)n1-c1ccc(C)cc1 ZINC000263582230 497803235 /nfs/dbraw/zinc/80/32/35/497803235.db2.gz YGQBDTQJHVDIDU-UHFFFAOYSA-N 0 1 354.450 3.382 20 10 FGCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC3(C[C@H]3c3nnc(C)o3)CC2)c1[O-] ZINC000364204769 497839800 /nfs/dbraw/zinc/83/98/00/497839800.db2.gz DKCJTXOLQQNBNK-INIZCTEOSA-N 0 1 359.401 3.195 20 10 FGCDMN CCN1CCN(c2ccc(CNc3nccc(C)c3[N+](=O)[O-])cc2F)CC1 ZINC000301303692 498048539 /nfs/dbraw/zinc/04/85/39/498048539.db2.gz SOYLEQWVHVLNTD-UHFFFAOYSA-N 0 1 373.432 3.191 20 10 FGCDMN COC(=O)CN(Cc1ccc(N2CCC(OC)CC2)cc1)C1CCCC1 ZINC000296802483 498203718 /nfs/dbraw/zinc/20/37/18/498203718.db2.gz PFQGCKNFKDSGGV-UHFFFAOYSA-N 0 1 360.498 3.219 20 10 FGCDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C)n3)cc2F)CC1 ZINC000301662219 498211448 /nfs/dbraw/zinc/21/14/48/498211448.db2.gz MZQDLCRZGOGCTM-UHFFFAOYSA-N 0 1 373.432 3.191 20 10 FGCDMN CCN1CCN(c2ccc(CNc3nnc(C4CC4)s3)cc2F)CC1 ZINC000301716379 498237100 /nfs/dbraw/zinc/23/71/00/498237100.db2.gz HBZCULPOJRUXHH-UHFFFAOYSA-N 0 1 361.490 3.309 20 10 FGCDMN COc1cc(O)c(CN[C@H](C)c2nccn2-c2ccccc2)cc1OC ZINC000290354493 498520140 /nfs/dbraw/zinc/52/01/40/498520140.db2.gz GJACDTKNNBAHAC-CQSZACIVSA-N 0 1 353.422 3.446 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298040416 498645848 /nfs/dbraw/zinc/64/58/48/498645848.db2.gz HRYHNVMABDDRIM-UHFFFAOYSA-N 0 1 368.485 3.014 20 10 FGCDMN Cc1nc([C@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n[nH]1 ZINC000287355495 498727601 /nfs/dbraw/zinc/72/76/01/498727601.db2.gz XRSMFUVIYJBXQE-AWEZNQCLSA-N 0 1 370.501 3.442 20 10 FGCDMN CCS(=O)(=O)C[C@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295253852 498956654 /nfs/dbraw/zinc/95/66/54/498956654.db2.gz UMZXJSYJUQPRBS-HNNXBMFYSA-N 0 1 366.552 3.297 20 10 FGCDMN CCc1nc(CN2CCC[C@H]([N@@H+](C)[C@H](C)c3cc(OC)ccc3O)C2)no1 ZINC000368030321 499257256 /nfs/dbraw/zinc/25/72/56/499257256.db2.gz MYBOKLKAWSBSDR-CABCVRRESA-N 0 1 374.485 3.004 20 10 FGCDMN CC[C@@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccccc1O ZINC000372337637 499422173 /nfs/dbraw/zinc/42/21/73/499422173.db2.gz NRWBSHCOGSVUHI-WCQYABFASA-N 0 1 354.376 3.349 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000373258499 499460250 /nfs/dbraw/zinc/46/02/50/499460250.db2.gz ZKVZOABAKRBUEO-GXTWGEPZSA-N 0 1 359.857 3.074 20 10 FGCDMN Oc1c(Cl)cccc1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000378441076 499517046 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374.222 3.116 20 10 FGCDMN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000850502819 731366002 /nfs/dbraw/zinc/36/60/02/731366002.db2.gz RHKVRDFYLPOTLD-CAVOSLQRSA-N 0 1 372.303 3.371 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000850559087 731373199 /nfs/dbraw/zinc/37/31/99/731373199.db2.gz XCYDHSYZZBKVIN-VXGBXAGGSA-N 0 1 369.303 3.452 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000850560252 731373482 /nfs/dbraw/zinc/37/34/82/731373482.db2.gz CKMHMORMGZQWIX-SJKOYZFVSA-N 0 1 372.303 3.373 20 10 FGCDMN Cc1cc(C(=O)CN(C)Cc2cnc[nH]2)c(C)n1-c1ccc(Cl)cn1 ZINC000852289148 731565518 /nfs/dbraw/zinc/56/55/18/731565518.db2.gz YVFMHTMODBPXTH-UHFFFAOYSA-N 0 1 357.845 3.180 20 10 FGCDMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000852412965 731580852 /nfs/dbraw/zinc/58/08/52/731580852.db2.gz MNHROJKOLGSHSY-GFCCVEGCSA-N 0 1 360.285 3.371 20 10 FGCDMN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCN1Cc1ccccc1 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COC(=O)CCCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804895844 724561484 /nfs/dbraw/zinc/56/14/84/724561484.db2.gz RRKQLSXTLYYFEI-UHFFFAOYSA-N 0 1 363.241 3.232 20 10 FGCDMN COc1cccc(CN[C@H](CCO)c2ccccc2Br)c1O ZINC000781637708 724581863 /nfs/dbraw/zinc/58/18/63/724581863.db2.gz CCWZNTYUJBBXEE-OAHLLOKOSA-N 0 1 366.255 3.377 20 10 FGCDMN CN(CCOCC[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC000705881026 722412054 /nfs/dbraw/zinc/41/20/54/722412054.db2.gz MXWLNPGRSZUQSC-UHFFFAOYSA-N 0 1 358.866 3.019 20 10 FGCDMN Cn1nc(CNCc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000727466893 722444827 /nfs/dbraw/zinc/44/48/27/722444827.db2.gz IDZZMAADIWDNQF-UHFFFAOYSA-N 0 1 352.507 3.416 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc(Br)ccc1[O-] ZINC000756398305 722963922 /nfs/dbraw/zinc/96/39/22/722963922.db2.gz UOCYSZBZSCGHDW-TZMCWYRMSA-N 0 1 366.255 3.245 20 10 FGCDMN C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1cc(F)ccc1[O-] ZINC000756649442 722968165 /nfs/dbraw/zinc/96/81/65/722968165.db2.gz PMOIVZAJHRQBIY-MRXNPFEDSA-N 0 1 350.478 3.465 20 10 FGCDMN CCCCCSC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000758232263 722986677 /nfs/dbraw/zinc/98/66/77/722986677.db2.gz QSBGJMPUJBCQRZ-SFHVURJKSA-N 0 1 352.544 3.102 20 10 FGCDMN COc1cccc(-c2nsc(NC(=O)c3c(F)ccc(O)c3O)n2)c1 ZINC000790070761 723102520 /nfs/dbraw/zinc/10/25/20/723102520.db2.gz GJMDOKMALVBQIT-UHFFFAOYSA-N 0 1 361.354 3.016 20 10 FGCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000761995898 723204866 /nfs/dbraw/zinc/20/48/66/723204866.db2.gz OUYZDRBGNXDLJH-UHFFFAOYSA-N 0 1 361.341 3.398 20 10 FGCDMN CN(C)c1ccc(CN2CCS[C@@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000792841569 723373425 /nfs/dbraw/zinc/37/34/25/723373425.db2.gz AYUHKJONLQULFA-HZPDHXFCSA-N 0 1 360.445 3.478 20 10 FGCDMN Cc1cc(Br)cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000793365442 723430951 /nfs/dbraw/zinc/43/09/51/723430951.db2.gz LKMYAWCMNWAPCX-KRWDZBQOSA-N 0 1 370.287 3.233 20 10 FGCDMN COc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c(O)c1 ZINC000793388711 723433122 /nfs/dbraw/zinc/43/31/22/723433122.db2.gz RYQUUDNGEQHNNY-UHFFFAOYSA-N 0 1 354.309 3.200 20 10 FGCDMN CC(C)[C@@H](C(=O)NCc1cccc(Br)c1[O-])[NH+]1CCCCC1 ZINC000765732065 723536060 /nfs/dbraw/zinc/53/60/60/723536060.db2.gz PAGOZLBYFSBQOM-HNNXBMFYSA-N 0 1 369.303 3.281 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000769319154 723682276 /nfs/dbraw/zinc/68/22/76/723682276.db2.gz SZURMWOGHDXQGI-OAHLLOKOSA-N 0 1 359.297 3.386 20 10 FGCDMN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769464483 723686307 /nfs/dbraw/zinc/68/63/07/723686307.db2.gz ZQAVQAQHMJRKQW-UHFFFAOYSA-N 0 1 373.837 3.300 20 10 FGCDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000769499204 723687475 /nfs/dbraw/zinc/68/74/75/723687475.db2.gz OSKRZCMINRZAII-CABCVRRESA-N 0 1 369.303 3.376 20 10 FGCDMN C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(Br)c1[O-])C[C@H](C)O2 ZINC000797605683 723841732 /nfs/dbraw/zinc/84/17/32/723841732.db2.gz UPXAEMNPRMDXFS-IGCXYCKISA-N 0 1 370.287 3.313 20 10 FGCDMN COc1c([O-])c(C[N@H+](C)CCOc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774821659 723933152 /nfs/dbraw/zinc/93/31/52/723933152.db2.gz UNJGTQHRCSXHPM-UHFFFAOYSA-N 0 1 366.801 3.473 20 10 FGCDMN COc1c([O-])c(C[N@@H+](C)CCOc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774821659 723933154 /nfs/dbraw/zinc/93/31/54/723933154.db2.gz UNJGTQHRCSXHPM-UHFFFAOYSA-N 0 1 366.801 3.473 20 10 FGCDMN COc1c([O-])c(C[NH2+]Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000774989703 723948581 /nfs/dbraw/zinc/94/85/81/723948581.db2.gz KGDKXLLYWFOYHI-UHFFFAOYSA-N 0 1 367.199 3.361 20 10 FGCDMN CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775500389 723996533 /nfs/dbraw/zinc/99/65/33/723996533.db2.gz JEDLBPFJMXZRFQ-IAGOWNOFSA-N 0 1 367.921 3.029 20 10 FGCDMN O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1O ZINC000775649997 724016047 /nfs/dbraw/zinc/01/60/47/724016047.db2.gz WEFRJHIMSZLSLV-HNNXBMFYSA-N 0 1 352.793 3.059 20 10 FGCDMN COc1cccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c1O ZINC000776695928 724171480 /nfs/dbraw/zinc/17/14/80/724171480.db2.gz YJFOBWCTNKEXMC-UONOGXRCSA-N 0 1 350.459 3.231 20 10 FGCDMN COC[C@@H](C)n1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000806442927 725129302 /nfs/dbraw/zinc/12/93/02/725129302.db2.gz RREFFHFOEWINRH-SECBINFHSA-N 0 1 373.240 3.425 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(F)cc1 ZINC000807512752 725162180 /nfs/dbraw/zinc/16/21/80/725162180.db2.gz HQMLNTZLKKJPSC-UHFFFAOYSA-N 0 1 357.168 3.093 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Cl)nc1 ZINC000807512623 725162223 /nfs/dbraw/zinc/16/22/23/725162223.db2.gz ANFWJSVUODYEIR-UHFFFAOYSA-N 0 1 374.611 3.002 20 10 FGCDMN C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838636 725172031 /nfs/dbraw/zinc/17/20/31/725172031.db2.gz ZVZJXUMIPTXFIH-SNVBAGLBSA-N 0 1 367.232 3.134 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccn(CC(F)F)n1 ZINC000807838649 725172070 /nfs/dbraw/zinc/17/20/70/725172070.db2.gz MWCVXSWQLVCNEL-UHFFFAOYSA-N 0 1 350.152 3.091 20 10 FGCDMN COc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3O)CC2)cc1 ZINC000809733999 725263558 /nfs/dbraw/zinc/26/35/58/725263558.db2.gz PSOQJEINMZXMQK-UHFFFAOYSA-N 0 1 360.841 3.012 20 10 FGCDMN COCCC[N@@H+](Cc1ccncc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809740580 725264130 /nfs/dbraw/zinc/26/41/30/725264130.db2.gz FBKHALLMCURLPD-UHFFFAOYSA-N 0 1 365.817 3.388 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000809756623 725265584 /nfs/dbraw/zinc/26/55/84/725265584.db2.gz GZXSIVGZFQHALQ-GFCCVEGCSA-N 0 1 350.260 3.186 20 10 FGCDMN CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221211 725297882 /nfs/dbraw/zinc/29/78/82/725297882.db2.gz CALRQVWZBTWNFN-CYBMUJFWSA-N 0 1 353.344 3.146 20 10 FGCDMN COc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c(OC)n1 ZINC000810260974 725300423 /nfs/dbraw/zinc/30/04/23/725300423.db2.gz RIFXIHNSQTZBAH-SNVBAGLBSA-N 0 1 367.243 3.418 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811520460 725372329 /nfs/dbraw/zinc/37/23/29/725372329.db2.gz PFPRDFTUWTYLGS-LBPRGKRZSA-N 0 1 356.651 3.452 20 10 FGCDMN Cn1cc(CNCc2ccc(N3CCSCC3)cc2)c(C(F)F)n1 ZINC000812746668 726807722 /nfs/dbraw/zinc/80/77/22/726807722.db2.gz GWIPWVAGCXNVMT-UHFFFAOYSA-N 0 1 352.454 3.201 20 10 FGCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])CC[C@@H]21 ZINC000814176464 726945161 /nfs/dbraw/zinc/94/51/61/726945161.db2.gz QEOLQHDMUCCVCN-CJNGLKHVSA-N 0 1 350.434 3.363 20 10 FGCDMN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000815633023 727087555 /nfs/dbraw/zinc/08/75/55/727087555.db2.gz DNNAZELCJNEHFS-NEPJUHHUSA-N 0 1 357.292 3.358 20 10 FGCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)O1 ZINC000816496570 727167969 /nfs/dbraw/zinc/16/79/69/727167969.db2.gz OTSMUMRHCCZCOX-GUTXKFCHSA-N 0 1 356.869 3.258 20 10 FGCDMN CC(C)c1ccnc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816570937 727176842 /nfs/dbraw/zinc/17/68/42/727176842.db2.gz MFQVACNWFCDRMZ-UHFFFAOYSA-N 0 1 364.852 3.420 20 10 FGCDMN CC(C)n1cc(C(C)(C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])nn1 ZINC000817420551 727250028 /nfs/dbraw/zinc/25/00/28/727250028.db2.gz VIOHLSXSACHCSW-UHFFFAOYSA-N 0 1 353.810 3.151 20 10 FGCDMN CCCN1C[C@H](C[NH2+][C@H](CC)c2cc(Br)ccc2[O-])CC1=O ZINC000817590204 727268816 /nfs/dbraw/zinc/26/88/16/727268816.db2.gz WHMBSHCTNJGXGY-SWLSCSKDSA-N 0 1 369.303 3.454 20 10 FGCDMN CN(C)c1ccc(CN2CCC[C@@H](n3ccnn3)C2)c(C(F)(F)F)c1 ZINC000822503506 729183257 /nfs/dbraw/zinc/18/32/57/729183257.db2.gz HZWJNSOKUZBIRH-OAHLLOKOSA-N 0 1 353.392 3.200 20 10 FGCDMN CCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824560940 729347453 /nfs/dbraw/zinc/34/74/53/729347453.db2.gz MZWRYJRHMXXNNQ-UHFFFAOYSA-N 0 1 369.303 3.283 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)N1CCCC[C@H]1C ZINC000825191225 729374138 /nfs/dbraw/zinc/37/41/38/729374138.db2.gz ZGQILFNUCRSGTI-NEPJUHHUSA-N 0 1 355.276 3.034 20 10 FGCDMN COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825279880 729376886 /nfs/dbraw/zinc/37/68/86/729376886.db2.gz ZQAFKHOOUDTWBT-SFHVURJKSA-N 0 1 351.830 3.194 20 10 FGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305507 729378125 /nfs/dbraw/zinc/37/81/25/729378125.db2.gz LVAGXWVYEHZBIQ-UHFFFAOYSA-N 0 1 368.836 3.112 20 10 FGCDMN COc1ccc([C@H](CCO)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825394422 729381703 /nfs/dbraw/zinc/38/17/03/729381703.db2.gz AGRMQRCULCHMLD-INIZCTEOSA-N 0 1 366.255 3.377 20 10 FGCDMN Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825401775 729381759 /nfs/dbraw/zinc/38/17/59/729381759.db2.gz XHVXDIFPGJEKIZ-UHFFFAOYSA-N 0 1 352.276 3.227 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000825887914 729398472 /nfs/dbraw/zinc/39/84/72/729398472.db2.gz XKGREWCNGBDSBG-ZDUSSCGKSA-N 0 1 368.193 3.434 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000825887914 729398474 /nfs/dbraw/zinc/39/84/74/729398474.db2.gz XKGREWCNGBDSBG-ZDUSSCGKSA-N 0 1 368.193 3.434 20 10 FGCDMN Oc1cc(Br)ccc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000825887914 729398478 /nfs/dbraw/zinc/39/84/78/729398478.db2.gz XKGREWCNGBDSBG-ZDUSSCGKSA-N 0 1 368.193 3.434 20 10 FGCDMN CCOC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])o1 ZINC000825917197 729399386 /nfs/dbraw/zinc/39/93/86/729399386.db2.gz YNIMNOSTRSWANF-UHFFFAOYSA-N 0 1 354.200 3.214 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(Cl)ccc1[O-] ZINC000834910485 729845812 /nfs/dbraw/zinc/84/58/12/729845812.db2.gz HVRSAFINRLKFGM-TZMCWYRMSA-N 0 1 370.877 3.332 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1[O-] ZINC000841743511 730269920 /nfs/dbraw/zinc/26/99/20/730269920.db2.gz ANRGOIURGDVKIG-CYBMUJFWSA-N 0 1 362.857 3.363 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1[O-] ZINC000841759030 730271478 /nfs/dbraw/zinc/27/14/78/730271478.db2.gz WZULDIOIGWAMFC-LBPRGKRZSA-N 0 1 368.886 3.147 20 10 FGCDMN O=C(NCc1ccccc1)[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843428613 730619999 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COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1cc(Cl)c(F)cc1O ZINC000862475022 732839553 /nfs/dbraw/zinc/83/95/53/732839553.db2.gz WHPBGQKQMZDBPK-MRXNPFEDSA-N 0 1 367.804 3.067 20 10 FGCDMN C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(Br)c(F)cc1O ZINC000886801113 739302655 /nfs/dbraw/zinc/30/26/55/739302655.db2.gz ICESWBMQCUGBCQ-KSBSHMNSSA-N 0 1 360.145 3.258 20 10 FGCDMN CO[C@H]1C[C@H]2CN(Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687620 736705044 /nfs/dbraw/zinc/70/50/44/736705044.db2.gz KRCTUCJNMVVDAG-IRXDYDNUSA-N 0 1 359.857 3.050 20 10 FGCDMN C[C@]1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1(F)F ZINC000882198220 737432231 /nfs/dbraw/zinc/43/22/31/737432231.db2.gz QUHQKKBNEBGQOI-LLVKDONJSA-N 0 1 360.209 3.164 20 10 FGCDMN COC(=O)c1sccc1CNC1CCN(c2ccc(OC)cc2)CC1 ZINC000892813485 740046581 /nfs/dbraw/zinc/04/65/81/740046581.db2.gz RLVPSQXSVCEYAY-UHFFFAOYSA-N 0 1 360.479 3.302 20 10 FGCDMN COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)s1 ZINC000896968914 742624191 /nfs/dbraw/zinc/62/41/91/742624191.db2.gz 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CCCN(CCC)c1ccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000769468221 723686510 /nfs/dbraw/zinc/68/65/10/723686510.db2.gz DDJJJEZKNZWFMY-SFHVURJKSA-N 0 1 352.544 3.180 20 10 FGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(O)c1 ZINC000780984773 724519025 /nfs/dbraw/zinc/51/90/25/724519025.db2.gz NVFZHDCKSYKBRZ-INIZCTEOSA-N 0 1 360.841 3.146 20 10 FGCDMN Cc1nc2cccc(C(=O)NCc3cc(Br)ccc3O)c2[nH]1 ZINC000804735344 724546548 /nfs/dbraw/zinc/54/65/48/724546548.db2.gz VLXXTQZIIXCZSB-UHFFFAOYSA-N 0 1 360.211 3.269 20 10 FGCDMN C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@](C)(C(F)F)O1 ZINC000705040344 722411641 /nfs/dbraw/zinc/41/16/41/722411641.db2.gz UIITVXNTIXAYAZ-YMTOWFKASA-N 0 1 350.203 3.399 20 10 FGCDMN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000735487729 722516772 /nfs/dbraw/zinc/51/67/72/722516772.db2.gz XIGIXPXHGGXQLO-HNNXBMFYSA-N 0 1 362.817 3.425 20 10 FGCDMN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000735487729 722516773 /nfs/dbraw/zinc/51/67/73/722516773.db2.gz XIGIXPXHGGXQLO-HNNXBMFYSA-N 0 1 362.817 3.425 20 10 FGCDMN CCn1ccnc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742385201 722556654 /nfs/dbraw/zinc/55/66/54/722556654.db2.gz RWWLNHXMDRNYJO-CQSZACIVSA-N 0 1 350.413 3.263 20 10 FGCDMN O=C1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000742392592 722556779 /nfs/dbraw/zinc/55/67/79/722556779.db2.gz RMSDHMJONXMSBQ-DAYGRLMNSA-N 0 1 356.853 3.292 20 10 FGCDMN Cc1cc(CC(=O)N(C)Cc2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000743483035 722567981 /nfs/dbraw/zinc/56/79/81/722567981.db2.gz WBXYFNTWOZCNHN-UHFFFAOYSA-N 0 1 357.845 3.067 20 10 FGCDMN Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Br ZINC000746394772 722600885 /nfs/dbraw/zinc/60/08/85/722600885.db2.gz QKWNFTMMOBXXAP-GXDHUFHOSA-N 0 1 357.207 3.219 20 10 FGCDMN CCCNC(=O)CN(CCC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754727736 722944978 /nfs/dbraw/zinc/94/49/78/722944978.db2.gz OXFMSAKKJDXAMM-UHFFFAOYSA-N 0 1 350.503 3.437 20 10 FGCDMN O=C1[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCN1c1c(F)cccc1F ZINC000756148939 722961253 /nfs/dbraw/zinc/96/12/53/722961253.db2.gz HOSZXKPATCQTLN-CQSZACIVSA-N 0 1 352.768 3.219 20 10 FGCDMN C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000756589852 722967349 /nfs/dbraw/zinc/96/73/49/722967349.db2.gz BQJYYLAAFQXNAW-LBPRGKRZSA-N 0 1 362.267 3.335 20 10 FGCDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792702650 723358401 /nfs/dbraw/zinc/35/84/01/723358401.db2.gz BXXZVQJYLKBIKO-UHFFFAOYSA-N 0 1 368.436 3.386 20 10 FGCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC000796031719 723618180 /nfs/dbraw/zinc/61/81/80/723618180.db2.gz SHRKUCNKGDHHRY-BETUJISGSA-N 0 1 352.862 3.344 20 10 FGCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]2C1 ZINC000796031719 723618183 /nfs/dbraw/zinc/61/81/83/723618183.db2.gz SHRKUCNKGDHHRY-BETUJISGSA-N 0 1 352.862 3.344 20 10 FGCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]2C1 ZINC000796031719 723618184 /nfs/dbraw/zinc/61/81/84/723618184.db2.gz SHRKUCNKGDHHRY-BETUJISGSA-N 0 1 352.862 3.344 20 10 FGCDMN COc1cccc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000769389649 723683925 /nfs/dbraw/zinc/68/39/25/723683925.db2.gz SFEJLMUPZJICPG-KBPBESRZSA-N 0 1 350.459 3.231 20 10 FGCDMN CN1CCN(c2ccc(CN3CCSC[C@@H]3c3nccs3)cc2)CC1 ZINC000770676936 723718965 /nfs/dbraw/zinc/71/89/65/723718965.db2.gz RSMOXYWOKSMCPP-GOSISDBHSA-N 0 1 374.579 3.185 20 10 FGCDMN O=C1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CN1c1c(F)cccc1F ZINC000770751528 723720501 /nfs/dbraw/zinc/72/05/01/723720501.db2.gz YHZCHHUILJOATE-JTQLQIEISA-N 0 1 352.768 3.219 20 10 FGCDMN Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1C ZINC000771052435 723726725 /nfs/dbraw/zinc/72/67/25/723726725.db2.gz FENOCFAIWJVTEO-INIZCTEOSA-N 0 1 361.873 3.087 20 10 FGCDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n[nH]1 ZINC000773136125 723777398 /nfs/dbraw/zinc/77/73/98/723777398.db2.gz FSMNAVRPNNIUDN-QWHCGFSZSA-N 0 1 363.893 3.269 20 10 FGCDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000775190520 723970065 /nfs/dbraw/zinc/97/00/65/723970065.db2.gz ZUTXCLRRCDEWBU-ZDUSSCGKSA-N 0 1 350.260 3.268 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1(CC(=O)OC)CC1 ZINC000799303962 724004357 /nfs/dbraw/zinc/00/43/57/724004357.db2.gz PJOLSYQUFIVQAG-UHFFFAOYSA-N 0 1 356.260 3.320 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1(CC(=O)OC)CC1 ZINC000799303962 724004365 /nfs/dbraw/zinc/00/43/65/724004365.db2.gz PJOLSYQUFIVQAG-UHFFFAOYSA-N 0 1 356.260 3.320 20 10 FGCDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644197 724014665 /nfs/dbraw/zinc/01/46/65/724014665.db2.gz GMVODZKNYRTOHU-JTQLQIEISA-N 0 1 372.849 3.025 20 10 FGCDMN NC(=O)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Cc1ccccc1Cl ZINC000776935321 724197258 /nfs/dbraw/zinc/19/72/58/724197258.db2.gz ACTNZALKHMFGMJ-GFCCVEGCSA-N 0 1 353.249 3.133 20 10 FGCDMN Cc1c(F)cccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511178 725162176 /nfs/dbraw/zinc/16/21/76/725162176.db2.gz GZEKJIPYHWXJCU-UHFFFAOYSA-N 0 1 371.195 3.401 20 10 FGCDMN Cc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807512890 725162300 /nfs/dbraw/zinc/16/23/00/725162300.db2.gz NOYYBKBEWWMHDG-UHFFFAOYSA-N 0 1 353.205 3.262 20 10 FGCDMN CCC[C@H](C)N1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000807837323 725171544 /nfs/dbraw/zinc/17/15/44/725171544.db2.gz LMFFVOIGOPWVCU-JQWIXIFHSA-N 0 1 373.280 3.352 20 10 FGCDMN O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1cc(Cl)cc(Cl)c1O ZINC000807840927 725172312 /nfs/dbraw/zinc/17/23/12/725172312.db2.gz NVEMSWFTRIOFPQ-UHFFFAOYSA-N 0 1 365.216 3.053 20 10 FGCDMN CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808715011 725214624 /nfs/dbraw/zinc/21/46/24/725214624.db2.gz RJDJBMWPTILSFF-ZDUSSCGKSA-N 0 1 374.934 3.066 20 10 FGCDMN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809713314 725261612 /nfs/dbraw/zinc/26/16/12/725261612.db2.gz HCRJXOIPWSUVRY-CYBMUJFWSA-N 0 1 355.276 3.035 20 10 FGCDMN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000809779367 725268022 /nfs/dbraw/zinc/26/80/22/725268022.db2.gz KWISUATUXSXTLH-ZDUSSCGKSA-N 0 1 371.275 3.174 20 10 FGCDMN CCc1nnc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000811967090 725386259 /nfs/dbraw/zinc/38/62/59/725386259.db2.gz JMDBQBFUOOOFLJ-UHFFFAOYSA-N 0 1 361.254 3.112 20 10 FGCDMN CN(C)c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813792886 726914672 /nfs/dbraw/zinc/91/46/72/726914672.db2.gz YBOUPHUIPLVDQC-KRWDZBQOSA-N 0 1 367.262 3.477 20 10 FGCDMN CCN(CC)c1ccc(CN2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000814170647 726944305 /nfs/dbraw/zinc/94/43/05/726944305.db2.gz BCMQDURSIQLLHY-SFHVURJKSA-N 0 1 352.544 3.322 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557006 727084045 /nfs/dbraw/zinc/08/40/45/727084045.db2.gz KHTWYYUAZCGJCU-CYBMUJFWSA-N 0 1 359.436 3.088 20 10 FGCDMN CCOC(=O)[C@H](Cc1ccccc1)NCc1cc(Cl)c(F)cc1O ZINC000816528936 727171864 /nfs/dbraw/zinc/17/18/64/727171864.db2.gz YPJIAVCSAIAGFY-INIZCTEOSA-N 0 1 351.805 3.449 20 10 FGCDMN CCOC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000816682056 727188354 /nfs/dbraw/zinc/18/83/54/727188354.db2.gz NPCBMBQQLIZHCS-UHFFFAOYSA-N 0 1 369.204 3.201 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)N)c1cc(Br)cc(Br)c1[O-] ZINC000817961013 727289742 /nfs/dbraw/zinc/28/97/42/727289742.db2.gz WFFVPCVYYVTOTL-SSDOTTSWSA-N 0 1 366.097 3.305 20 10 FGCDMN CCS(=O)(=O)CCNCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819290981 727364906 /nfs/dbraw/zinc/36/49/06/727364906.db2.gz PBHRFLINJMWLCY-AWEZNQCLSA-N 0 1 358.935 3.101 20 10 FGCDMN Cc1cc(Cl)cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1[O-] ZINC000822526542 729190713 /nfs/dbraw/zinc/19/07/13/729190713.db2.gz WLKOSEHPKQTQGX-SFHVURJKSA-N 0 1 353.890 3.401 20 10 FGCDMN CC(C)(C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)C(N)=O ZINC000824608147 729350382 /nfs/dbraw/zinc/35/03/82/729350382.db2.gz BJRCGWFVHFUMCJ-GFCCVEGCSA-N 0 1 369.303 3.268 20 10 FGCDMN CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)C(N)=O ZINC000824608147 729350384 /nfs/dbraw/zinc/35/03/84/729350384.db2.gz BJRCGWFVHFUMCJ-GFCCVEGCSA-N 0 1 369.303 3.268 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824695640 729355446 /nfs/dbraw/zinc/35/54/46/729355446.db2.gz AFQVZRWRVUYDCP-FMKPAKJESA-N 0 1 354.834 3.469 20 10 FGCDMN C[C@H]1CN(C(C)(C)C[NH2+]Cc2ccc(Br)cc2[O-])C[C@H](C)O1 ZINC000825070342 729369809 /nfs/dbraw/zinc/36/98/09/729369809.db2.gz BSKGHRPWKWEQLZ-STQMWFEESA-N 0 1 371.319 3.132 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000825122309 729371698 /nfs/dbraw/zinc/37/16/98/729371698.db2.gz ZTCQDBYLZVENQS-UHFFFAOYSA-N 0 1 367.898 3.449 20 10 FGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1Cl ZINC000825490263 729385028 /nfs/dbraw/zinc/38/50/28/729385028.db2.gz VLZQARLQBFGWKJ-QGZVFWFLSA-N 0 1 359.857 3.030 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000825955368 729400864 /nfs/dbraw/zinc/40/08/64/729400864.db2.gz LGDQMQZNNBZXAN-SFHVURJKSA-N 0 1 362.267 3.291 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000825955368 729400865 /nfs/dbraw/zinc/40/08/65/729400865.db2.gz LGDQMQZNNBZXAN-SFHVURJKSA-N 0 1 362.267 3.291 20 10 FGCDMN COc1cccc(OC)c1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000826920286 729419038 /nfs/dbraw/zinc/41/90/38/729419038.db2.gz GUJUZVQSOPKHPE-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000834914006 729846015 /nfs/dbraw/zinc/84/60/15/729846015.db2.gz KBFLKSQWOUBWJC-AEGPPILISA-N 0 1 367.287 3.349 20 10 FGCDMN COC(=O)[C@]1(C(F)(F)F)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835052440 729853027 /nfs/dbraw/zinc/85/30/27/729853027.db2.gz OJTHGYHAFKEFRP-BDUNBXCCSA-N 0 1 356.388 3.193 20 10 FGCDMN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(Cl)ccc2O)CCCO1 ZINC000835083210 729857714 /nfs/dbraw/zinc/85/77/14/729857714.db2.gz RTIAQFMORWKQTH-HNNXBMFYSA-N 0 1 370.877 3.161 20 10 FGCDMN CC[C@@H]([NH2+]CCCS(=O)(=O)CC)c1cc(Br)ccc1[O-] ZINC000840888431 730188343 /nfs/dbraw/zinc/18/83/43/730188343.db2.gz JTVBLRLJQMBOPZ-CYBMUJFWSA-N 0 1 364.305 3.020 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c(Cl)c1 ZINC000840942963 730194757 /nfs/dbraw/zinc/19/47/57/730194757.db2.gz NJZCQMFCJIGOSK-UHFFFAOYSA-N 0 1 367.898 3.101 20 10 FGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(Cl)c1 ZINC000840947966 730195533 /nfs/dbraw/zinc/19/55/33/730195533.db2.gz IBBFGPWKFRPOPH-CQSZACIVSA-N 0 1 351.878 3.124 20 10 FGCDMN COc1cc(F)cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000841494525 730248914 /nfs/dbraw/zinc/24/89/14/730248914.db2.gz CEBHWYHTFLPXBW-OQLLNIDSSA-N 0 1 366.483 3.130 20 10 FGCDMN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841746230 730270155 /nfs/dbraw/zinc/27/01/55/730270155.db2.gz WKLDQVADLOEHSQ-ZDUSSCGKSA-N 0 1 362.857 3.411 20 10 FGCDMN C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(Cl)cc1[O-] ZINC000841752707 730270773 /nfs/dbraw/zinc/27/07/73/730270773.db2.gz VFSFEGOARXOUJH-QWHCGFSZSA-N 0 1 357.841 3.495 20 10 FGCDMN Cn1nccc1[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C ZINC000843432765 730620729 /nfs/dbraw/zinc/62/07/29/730620729.db2.gz PLLCZEIIAAKJKI-CQSZACIVSA-N 0 1 369.824 3.091 20 10 FGCDMN COC(=O)[C@H](NCc1cc(Cl)cc(F)c1O)[C@H]1CCC[C@H](OC)C1 ZINC000846109978 730929793 /nfs/dbraw/zinc/92/97/93/730929793.db2.gz WFAIYQJZRNQBPE-VZJVUDMVSA-N 0 1 359.825 3.021 20 10 FGCDMN OC[C@@H](NCc1cc2c(cc1O)OCO2)c1cccc(Cl)c1Cl ZINC000850401859 731352635 /nfs/dbraw/zinc/35/26/35/731352635.db2.gz AZLIRQMQOJCUDL-GFCCVEGCSA-N 0 1 356.205 3.251 20 10 FGCDMN OC1CCN(c2ccc(CNCc3ccc(F)c(F)c3F)cc2)CC1 ZINC000850406836 731353361 /nfs/dbraw/zinc/35/33/61/731353361.db2.gz WAJPHGWPSZAUMX-UHFFFAOYSA-N 0 1 350.384 3.355 20 10 FGCDMN CO[C@@H](CC(C)C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000857471840 732133093 /nfs/dbraw/zinc/13/30/93/732133093.db2.gz CCDSSWCJFMKGIR-WMZOPIPTSA-N 0 1 368.905 3.187 20 10 FGCDMN Cc1noc([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862227411 732790003 /nfs/dbraw/zinc/79/00/03/732790003.db2.gz OHZVPWYXPUVJBI-LLVKDONJSA-N 0 1 352.232 3.226 20 10 FGCDMN Cc1noc([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC000862227411 732790007 /nfs/dbraw/zinc/79/00/07/732790007.db2.gz OHZVPWYXPUVJBI-LLVKDONJSA-N 0 1 352.232 3.226 20 10 FGCDMN CC1(C2CC[NH+](Cc3c([O-])cccc3Br)CC2)OCCO1 ZINC000862244013 732796222 /nfs/dbraw/zinc/79/62/22/732796222.db2.gz HWDCRDDNHXPMMH-UHFFFAOYSA-N 0 1 356.260 3.130 20 10 FGCDMN C[S@@](=O)C[C@@H](NCc1c(O)cccc1Br)c1ccccc1 ZINC000862302967 732806907 /nfs/dbraw/zinc/80/69/07/732806907.db2.gz GTXQPGRLAOMQRZ-QVKFZJNVSA-N 0 1 368.296 3.364 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(C(F)F)nc3)SC2=S)CC1 ZINC000864355734 733049298 /nfs/dbraw/zinc/04/92/98/733049298.db2.gz IWIQKQPSXMCJMS-MDWZMJQESA-N 0 1 369.462 3.315 20 10 FGCDMN COc1ccc(N2CC[C@H](NCc3cccnc3Br)C2)cc1 ZINC000865622099 733240233 /nfs/dbraw/zinc/24/02/33/733240233.db2.gz LQGZKPCIXSEWNL-AWEZNQCLSA-N 0 1 362.271 3.221 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1[O-] ZINC000866530418 733361411 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20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC000816624669 727181663 /nfs/dbraw/zinc/18/16/63/727181663.db2.gz CLQPCPTVXHCXFW-INIZCTEOSA-N 0 1 364.283 3.499 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000824645296 729352673 /nfs/dbraw/zinc/35/26/73/729352673.db2.gz DLCGFNBHAHLRDK-MRXNPFEDSA-N 0 1 370.287 3.315 20 10 FGCDMN O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824725785 729356769 /nfs/dbraw/zinc/35/67/69/729356769.db2.gz KOLNSGYGCBWBQX-HNNXBMFYSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCCN1[C@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000824725785 729356770 /nfs/dbraw/zinc/35/67/70/729356770.db2.gz KOLNSGYGCBWBQX-HNNXBMFYSA-N 0 1 367.287 3.132 20 10 FGCDMN Cc1ccc([C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])N2CCOCC2)o1 ZINC000825072157 729369722 /nfs/dbraw/zinc/36/97/22/729369722.db2.gz XSYYZJGECNVEPR-QGZVFWFLSA-N 0 1 364.873 3.419 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)cc1Cl ZINC000825114759 729371345 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C[C@H](NCCS(=O)(=O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000840882086 730187919 /nfs/dbraw/zinc/18/79/19/730187919.db2.gz NCGHCOUNCSKKSZ-AWEZNQCLSA-N 0 1 354.491 3.044 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2CS(C)(=O)=O)c(Cl)c1 ZINC000840902325 730189524 /nfs/dbraw/zinc/18/95/24/730189524.db2.gz FHYHLDUJKVRQJI-UHFFFAOYSA-N 0 1 353.871 3.188 20 10 FGCDMN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000840931028 730192993 /nfs/dbraw/zinc/19/29/93/730192993.db2.gz REPVPKWYCICZAF-UHFFFAOYSA-N 0 1 366.914 3.278 20 10 FGCDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000840995677 730201813 /nfs/dbraw/zinc/20/18/13/730201813.db2.gz JCIBNOARRMVJHL-LBPRGKRZSA-N 0 1 355.276 3.344 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1[O-] ZINC000841757652 730271379 /nfs/dbraw/zinc/27/13/79/730271379.db2.gz OGXFGKJRAOECGV-JSGCOSHPSA-N 0 1 370.877 3.332 20 10 FGCDMN C[N@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccccc1 ZINC000845082261 730808534 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CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[O-] ZINC000863551466 732975908 /nfs/dbraw/zinc/97/59/08/732975908.db2.gz FLCQUCZIPGQRHQ-RISCZKNCSA-N 0 1 364.795 3.207 20 10 FGCDMN CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1[O-] ZINC000872118724 735591438 /nfs/dbraw/zinc/59/14/38/735591438.db2.gz GTVIJYUQAOUGAX-UJMBOELQSA-N 0 1 357.903 3.442 20 10 FGCDMN CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1[O-] ZINC000872118725 735591559 /nfs/dbraw/zinc/59/15/59/735591559.db2.gz GTVIJYUQAOUGAX-ZBVLDHOZSA-N 0 1 357.903 3.442 20 10 FGCDMN CCN(C)c1ccc(Cn2cc([C@@H](N)c3ccc(Cl)cc3)nn2)cc1 ZINC000881313281 737323574 /nfs/dbraw/zinc/32/35/74/737323574.db2.gz GYDHKMHRIVNDHN-IBGZPJMESA-N 0 1 355.873 3.484 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883253348 737541277 /nfs/dbraw/zinc/54/12/77/737541277.db2.gz PJBLNCGDFGTSDY-ZDUSSCGKSA-N 0 1 370.287 3.220 20 10 FGCDMN COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])[C@@H]1CCCOC1 ZINC000886789669 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BZWNORPDEGPGQW-DUVNUKRYSA-N 0 1 374.319 3.353 20 10 FGCDMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000765422632 723511965 /nfs/dbraw/zinc/51/19/65/723511965.db2.gz BCZYQHZJUBALCI-KGLIPLIRSA-N 0 1 367.921 3.130 20 10 FGCDMN C[NH+](C)Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765731286 723536036 /nfs/dbraw/zinc/53/60/36/723536036.db2.gz ZSQYXUVQZDCBBA-UHFFFAOYSA-N 0 1 363.255 3.146 20 10 FGCDMN CN(Cc1cnn(-c2ccccc2)n1)Cc1cccc(Br)c1O ZINC000768782366 723667105 /nfs/dbraw/zinc/66/71/05/723667105.db2.gz PGNYPJMLLXVCQY-UHFFFAOYSA-N 0 1 373.254 3.367 20 10 FGCDMN O=C1CCCCN1[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000769339249 723682891 /nfs/dbraw/zinc/68/28/91/723682891.db2.gz VGYKMCBCIGQYEN-HNNXBMFYSA-N 0 1 367.287 3.132 20 10 FGCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](CC)CN1C(C)=O ZINC000769498232 723687364 /nfs/dbraw/zinc/68/73/64/723687364.db2.gz SFWHZCXAQPQWLW-LSDHHAIUSA-N 0 1 369.849 3.175 20 10 FGCDMN CC[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1CC(F)F ZINC000769514329 723688444 /nfs/dbraw/zinc/68/84/44/723688444.db2.gz KQRUNNVHYTTYEO-LBPRGKRZSA-N 0 1 363.792 3.115 20 10 FGCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1CC(F)F ZINC000769514329 723688445 /nfs/dbraw/zinc/68/84/45/723688445.db2.gz KQRUNNVHYTTYEO-LBPRGKRZSA-N 0 1 363.792 3.115 20 10 FGCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770313626 723710986 /nfs/dbraw/zinc/71/09/86/723710986.db2.gz ZGHKSLWIIHHYLX-AWEZNQCLSA-N 0 1 350.806 3.333 20 10 FGCDMN CC(C)CO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771060780 723726994 /nfs/dbraw/zinc/72/69/94/723726994.db2.gz YVCMMNUSCCRTAN-WMLDXEAASA-N 0 1 368.905 3.187 20 10 FGCDMN CCOC1CC(O)(C[NH2+][C@H](CC)c2cc(Br)ccc2[O-])C1 ZINC000774485615 723899496 /nfs/dbraw/zinc/89/94/96/723899496.db2.gz FCHGORKTEMBQSD-CXOJTPOUSA-N 0 1 358.276 3.125 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000775145055 723963625 /nfs/dbraw/zinc/96/36/25/723963625.db2.gz HOQHEJWIZFAAPI-ISVAXAHUSA-N 0 1 368.739 3.089 20 10 FGCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)O1 ZINC000775660701 724018191 /nfs/dbraw/zinc/01/81/91/724018191.db2.gz GWBDGTNRMRZTJI-ZENOOKHLSA-N 0 1 356.869 3.258 20 10 FGCDMN C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(Cl)c1[O-] ZINC000775711749 724028945 /nfs/dbraw/zinc/02/89/45/724028945.db2.gz IKVMZKHNXCXNSI-UHFFFAOYSA-N 0 1 359.901 3.300 20 10 FGCDMN COc1ccccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135102 725052381 /nfs/dbraw/zinc/05/23/81/725052381.db2.gz FXOJLXADCBBFFE-UHFFFAOYSA-N 0 1 362.234 3.186 20 10 FGCDMN NC(=O)c1ccc(NC(=S)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806599807 725136595 /nfs/dbraw/zinc/13/65/95/725136595.db2.gz XZNGJZDLCDJTNA-UHFFFAOYSA-N 0 1 370.261 3.285 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1c1nccs1 ZINC000807837451 725171515 /nfs/dbraw/zinc/17/15/15/725171515.db2.gz QOCQXJOSVJJKOH-GFCCVEGCSA-N 0 1 372.277 3.441 20 10 FGCDMN O=C(Cc1csc2nccn12)NCc1cc(Cl)cc(Cl)c1O ZINC000807838853 725171993 /nfs/dbraw/zinc/17/19/93/725171993.db2.gz ALPWPRINASBKKZ-UHFFFAOYSA-N 0 1 356.234 3.267 20 10 FGCDMN COc1cccc(C[C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])n1 ZINC000809713636 725261676 /nfs/dbraw/zinc/26/16/76/725261676.db2.gz VXSOCCPQSLQRRK-LLVKDONJSA-N 0 1 351.244 3.279 20 10 FGCDMN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000809713988 725261845 /nfs/dbraw/zinc/26/18/45/725261845.db2.gz SRISHBHMZTUZIY-AWEZNQCLSA-N 0 1 355.276 3.035 20 10 FGCDMN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000809713988 725261846 /nfs/dbraw/zinc/26/18/46/725261846.db2.gz SRISHBHMZTUZIY-AWEZNQCLSA-N 0 1 355.276 3.035 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)c(F)cc1[O-] ZINC000810254681 725300180 /nfs/dbraw/zinc/30/01/80/725300180.db2.gz PIMQBLXMVCISMO-RKDXNWHRSA-N 0 1 354.223 3.225 20 10 FGCDMN O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000811511710 725371468 /nfs/dbraw/zinc/37/14/68/725371468.db2.gz RJUFERWBAKNGQG-GFCCVEGCSA-N 0 1 356.825 3.428 20 10 FGCDMN CCCc1nsc(NCc2ccc(N3CCN(CC)CC3)c(F)c2)n1 ZINC000812459159 725397605 /nfs/dbraw/zinc/39/76/05/725397605.db2.gz VWTQRKHPOKJRQD-UHFFFAOYSA-N 0 1 363.506 3.384 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000812780959 726810186 /nfs/dbraw/zinc/81/01/86/726810186.db2.gz BZUWISNADCGQTD-SFHVURJKSA-N 0 1 362.267 3.291 20 10 FGCDMN C[C@H](NC(=O)C1CCCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683837 726904937 /nfs/dbraw/zinc/90/49/37/726904937.db2.gz DWLZFMREPSXGJM-JTQLQIEISA-N 0 1 373.280 3.400 20 10 FGCDMN CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000814171089 726944332 /nfs/dbraw/zinc/94/43/32/726944332.db2.gz KIJYPHUBSRFLAA-ZDUSSCGKSA-N 0 1 366.310 3.488 20 10 FGCDMN CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000814171089 726944333 /nfs/dbraw/zinc/94/43/33/726944333.db2.gz KIJYPHUBSRFLAA-ZDUSSCGKSA-N 0 1 366.310 3.488 20 10 FGCDMN C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978217 727290133 /nfs/dbraw/zinc/29/01/33/727290133.db2.gz YNXBIRAUQNBSRY-CSMHCCOUSA-N 0 1 366.097 3.304 20 10 FGCDMN CN(CC(=O)N1CCCC1)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823390758 729275176 /nfs/dbraw/zinc/27/51/76/729275176.db2.gz JDKQXZJBHCYYCK-UHFFFAOYSA-N 0 1 357.523 3.439 20 10 FGCDMN CC[C@H](CO)[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000824534015 729345983 /nfs/dbraw/zinc/34/59/83/729345983.db2.gz XDJZAXGTZAIVAU-SNVBAGLBSA-N 0 1 367.081 3.120 20 10 FGCDMN [O-]c1c(Br)cc(Br)cc1C[NH2+]C(CF)CF ZINC000824554107 729346931 /nfs/dbraw/zinc/34/69/31/729346931.db2.gz BBFXEGBBECKMCS-UHFFFAOYSA-N 0 1 359.008 3.314 20 10 FGCDMN CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824592628 729349320 /nfs/dbraw/zinc/34/93/20/729349320.db2.gz IJDIYUJNEYJLJT-UHFFFAOYSA-N 0 1 369.303 3.234 20 10 FGCDMN CN(C)C(=O)C1([NH2+]Cc2cc(Br)ccc2[O-])CCCCC1 ZINC000824714681 729356183 /nfs/dbraw/zinc/35/61/83/729356183.db2.gz DWMHOXUUEJVPAJ-UHFFFAOYSA-N 0 1 355.276 3.035 20 10 FGCDMN C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C[C@H]1n1ccnc1 ZINC000824928051 729365377 /nfs/dbraw/zinc/36/53/77/729365377.db2.gz TUZNZTWQMLHUMK-SWLSCSKDSA-N 0 1 350.260 3.434 20 10 FGCDMN C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C[C@H]1n1ccnc1 ZINC000824928051 729365378 /nfs/dbraw/zinc/36/53/78/729365378.db2.gz TUZNZTWQMLHUMK-SWLSCSKDSA-N 0 1 350.260 3.434 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000825059165 729369280 /nfs/dbraw/zinc/36/92/80/729369280.db2.gz UKSXTBAOXGKUHA-UHFFFAOYSA-N 0 1 350.212 3.216 20 10 FGCDMN COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825064190 729369373 /nfs/dbraw/zinc/36/93/73/729369373.db2.gz KHILXTSTQJAKRC-QGZVFWFLSA-N 0 1 351.830 3.194 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)cc1Cl ZINC000825114761 729371405 /nfs/dbraw/zinc/37/14/05/729371405.db2.gz WCQNVLYIUOPTPO-CQSZACIVSA-N 0 1 361.873 3.264 20 10 FGCDMN COc1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1OC ZINC000825125048 729372154 /nfs/dbraw/zinc/37/21/54/729372154.db2.gz DTIYUOBKUYUDIB-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)C2CCSCC2)c1 ZINC000825134379 729372449 /nfs/dbraw/zinc/37/24/49/729372449.db2.gz YUVQSEHWCLTSBW-UHFFFAOYSA-N 0 1 360.317 3.153 20 10 FGCDMN CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825378761 729380937 /nfs/dbraw/zinc/38/09/37/729380937.db2.gz GFOBOQGYSJPMGG-UHFFFAOYSA-N 0 1 352.276 3.303 20 10 FGCDMN COC(=O)c1nc(CNCc2cc(Cl)c(C)cc2O)ccc1Cl ZINC000826978079 729420539 /nfs/dbraw/zinc/42/05/39/729420539.db2.gz VFZHKBBXSRNXSM-UHFFFAOYSA-N 0 1 355.221 3.479 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377530 729429548 /nfs/dbraw/zinc/42/95/48/729429548.db2.gz ZXJSGMMASBVXOW-CZUORRHYSA-N 0 1 350.415 3.090 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(Br)ccc1[O-] ZINC000834851024 729838933 /nfs/dbraw/zinc/83/89/33/729838933.db2.gz SEAIHIOGVNDTFV-ZBFHGGJFSA-N 0 1 371.319 3.042 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(Br)ccc1[O-] ZINC000834849636 729839044 /nfs/dbraw/zinc/83/90/44/729839044.db2.gz DMEXVTKSLZQGCM-GDBMZVCRSA-N 0 1 371.319 3.042 20 10 FGCDMN CN(C)c1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c(C(F)(F)F)c1 ZINC000835075514 729856548 /nfs/dbraw/zinc/85/65/48/729856548.db2.gz YRZVKUNKPCHTOU-GDBMZVCRSA-N 0 1 355.404 3.014 20 10 FGCDMN CCn1cc([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000836641685 729963631 /nfs/dbraw/zinc/96/36/31/729963631.db2.gz KJRDKZYZQKYWBM-VIFPVBQESA-N 0 1 357.241 3.476 20 10 FGCDMN C[C@]1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483481 730034422 /nfs/dbraw/zinc/03/44/22/730034422.db2.gz AVYSHEAFOKBLRD-QFBILLFUSA-N 0 1 366.889 3.085 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCCn2cc(Br)cn2)c(Cl)c1 ZINC000840945651 730194879 /nfs/dbraw/zinc/19/48/79/730194879.db2.gz SRRSBXJPYVYRQZ-UHFFFAOYSA-N 0 1 358.667 3.493 20 10 FGCDMN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744985 730269843 /nfs/dbraw/zinc/26/98/43/730269843.db2.gz LVVQLJPLIRIPER-VXGBXAGGSA-N 0 1 368.886 3.366 20 10 FGCDMN CN(C)c1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)c(C(F)(F)F)c1 ZINC000843416673 730617673 /nfs/dbraw/zinc/61/76/73/730617673.db2.gz WHXLROHBQCRIRM-HNNXBMFYSA-N 0 1 357.420 3.260 20 10 FGCDMN O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843428614 730619979 /nfs/dbraw/zinc/61/99/79/730619979.db2.gz LCASGPWYDWUTCG-CQSZACIVSA-N 0 1 362.832 3.323 20 10 FGCDMN C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846054824 730924304 /nfs/dbraw/zinc/92/43/04/730924304.db2.gz HCAUSPBAPMROJU-ZDUSSCGKSA-N 0 1 362.857 3.482 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846073626 730925468 /nfs/dbraw/zinc/92/54/68/730925468.db2.gz QNUKKAHVTAAJRC-ABAIWWIYSA-N 0 1 356.388 3.463 20 10 FGCDMN COc1ccc(N(C)CCN(C)C(=O)c2sccc2CN(C)C)cc1 ZINC000846441845 730956112 /nfs/dbraw/zinc/95/61/12/730956112.db2.gz DOCGRZNJPQKHIO-UHFFFAOYSA-N 0 1 361.511 3.027 20 10 FGCDMN C[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000848558057 731181524 /nfs/dbraw/zinc/18/15/24/731181524.db2.gz MVVVZIKEANPUPE-FQUUOJAGSA-N 0 1 371.319 3.303 20 10 FGCDMN CCC[N@H+](C)CC(C)(C)NCc1cc(Br)cc(OC)c1O ZINC000850409786 731353851 /nfs/dbraw/zinc/35/38/51/731353851.db2.gz GKKWVLHGUWNRDB-UHFFFAOYSA-N 0 1 359.308 3.373 20 10 FGCDMN C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000850491722 731363015 /nfs/dbraw/zinc/36/30/15/731363015.db2.gz BAPOISXTTDWSIK-SQFXPLBJSA-N 0 1 374.222 3.116 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000850560253 731373642 /nfs/dbraw/zinc/37/36/42/731373642.db2.gz CKMHMORMGZQWIX-YVEFUNNKSA-N 0 1 372.303 3.373 20 10 FGCDMN Cc1cc([C@@](C)(O)C[NH2+]Cc2c([O-])cccc2Br)c(C)o1 ZINC000858144735 732185622 /nfs/dbraw/zinc/18/56/22/732185622.db2.gz GGDADDZQQFTKKZ-INIZCTEOSA-N 0 1 354.244 3.362 20 10 FGCDMN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858148698 732186197 /nfs/dbraw/zinc/18/61/97/732186197.db2.gz HUUBSOQODDAMSE-HTGLOVNISA-N 0 1 360.317 3.324 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000858165899 732188349 /nfs/dbraw/zinc/18/83/49/732188349.db2.gz RFQBLXODSOHQJE-CRAIPNDOSA-N 0 1 362.267 3.411 20 10 FGCDMN CN(C)c1cc(F)c(CNC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1F ZINC000858196849 732191625 /nfs/dbraw/zinc/19/16/25/732191625.db2.gz VUGPWVHZCKCZQL-MRXNPFEDSA-N 0 1 360.326 3.271 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000858603125 732230973 /nfs/dbraw/zinc/23/09/73/732230973.db2.gz RMSPLBXMVDCJRX-HUUCEWRRSA-N 0 1 367.287 3.349 20 10 FGCDMN Fc1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cnc1Cl ZINC000865598352 733234809 /nfs/dbraw/zinc/23/48/09/733234809.db2.gz SDJFEYGNSOAZQE-UHFFFAOYSA-N 0 1 371.790 3.279 20 10 FGCDMN O=C(Cc1cnn2c1CCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000868357294 733586024 /nfs/dbraw/zinc/58/60/24/733586024.db2.gz SUOKIGHAHVVAPA-UHFFFAOYSA-N 0 1 354.237 3.091 20 10 FGCDMN Cn1ncc(NC(=O)OC(C)(C)C)c1CNCc1cc(Cl)ccc1O ZINC000895156666 742382542 /nfs/dbraw/zinc/38/25/42/742382542.db2.gz 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FGCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776014383 724097134 /nfs/dbraw/zinc/09/71/34/724097134.db2.gz RINMFNCTZAWZHB-QWHCGFSZSA-N 0 1 362.253 3.242 20 10 FGCDMN Cc1ccn(C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000784440745 724853108 /nfs/dbraw/zinc/85/31/08/724853108.db2.gz AIOCEPSMQWTLLV-MRXNPFEDSA-N 0 1 361.873 3.087 20 10 FGCDMN COCC[N@H+](Cc1scnc1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000787311566 725024625 /nfs/dbraw/zinc/02/46/25/725024625.db2.gz VHUPEYQFMUQWIC-UHFFFAOYSA-N 0 1 371.846 3.367 20 10 FGCDMN COCC[N@@H+](Cc1scnc1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000787311566 725024626 /nfs/dbraw/zinc/02/46/26/725024626.db2.gz VHUPEYQFMUQWIC-UHFFFAOYSA-N 0 1 371.846 3.367 20 10 FGCDMN CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805198173 725055943 /nfs/dbraw/zinc/05/59/43/725055943.db2.gz MGYMPHRVABGSKP-GFCCVEGCSA-N 0 1 374.312 3.476 20 10 FGCDMN NC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000806256352 725121856 /nfs/dbraw/zinc/12/18/56/725121856.db2.gz MZZHDCPFFQWIER-UHFFFAOYSA-N 0 1 372.183 3.259 20 10 FGCDMN Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806652372 725139460 /nfs/dbraw/zinc/13/94/60/725139460.db2.gz WBRVBYSSWIYEMH-JTQLQIEISA-N 0 1 371.268 3.339 20 10 FGCDMN O=C(Cc1ccc2n[nH]cc2c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838814 725172125 /nfs/dbraw/zinc/17/21/25/725172125.db2.gz RJFAEYHZYUIIBD-UHFFFAOYSA-N 0 1 350.205 3.434 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697340 725260030 /nfs/dbraw/zinc/26/00/30/725260030.db2.gz FDASZJBPMYZLOY-QWRGUYRKSA-N 0 1 368.193 3.147 20 10 FGCDMN CN(C)C(=O)OC[C@H]1CCCCN1Cc1cc(Br)ccc1O ZINC000809709069 725261114 /nfs/dbraw/zinc/26/11/14/725261114.db2.gz LZBPUYFIOKQUOG-CQSZACIVSA-N 0 1 371.275 3.207 20 10 FGCDMN COC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000812536054 725399649 /nfs/dbraw/zinc/39/96/49/725399649.db2.gz OXUAPZAJLGNUPS-GRDNDAEWSA-N 0 1 368.905 3.045 20 10 FGCDMN O=C(C[C@@H](O)Cc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683859 726904955 /nfs/dbraw/zinc/90/49/55/726904955.db2.gz FTZBJSMSTYBPSD-AWEZNQCLSA-N 0 1 354.233 3.309 20 10 FGCDMN CC(=O)N[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCC1 ZINC000813683121 726905055 /nfs/dbraw/zinc/90/50/55/726905055.db2.gz UDPBJCQAOZYRPE-CQSZACIVSA-N 0 1 359.253 3.010 20 10 FGCDMN CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816481273 727166452 /nfs/dbraw/zinc/16/64/52/727166452.db2.gz OMIIESRDIIIIDY-UHFFFAOYSA-N 0 1 368.811 3.462 20 10 FGCDMN C[N@H+](Cc1cccc(Br)c1[O-])C[C@H](O)Cc1ccccc1 ZINC000816624851 727182139 /nfs/dbraw/zinc/18/21/39/727182139.db2.gz JMLOPUZGGIRNMR-OAHLLOKOSA-N 0 1 350.256 3.190 20 10 FGCDMN CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1=O ZINC000817589894 727268994 /nfs/dbraw/zinc/26/89/94/727268994.db2.gz RACBOLUCSFQKDP-RYUDHWBXSA-N 0 1 355.276 3.064 20 10 FGCDMN C[C@H](CNCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)S(C)(=O)=O ZINC000819291442 727364942 /nfs/dbraw/zinc/36/49/42/727364942.db2.gz VDPZSYPTPUCTGY-ZIAGYGMSSA-N 0 1 358.935 3.099 20 10 FGCDMN COC(=O)c1cc(CN(C)Cc2ccc(Br)cc2O)oc1C ZINC000824542468 729346323 /nfs/dbraw/zinc/34/63/23/729346323.db2.gz SQDQKZLRRFUFLQ-UHFFFAOYSA-N 0 1 368.227 3.475 20 10 FGCDMN COC(=O)c1cc(C[N@H+](C)Cc2ccc(Br)cc2[O-])oc1C ZINC000824542468 729346326 /nfs/dbraw/zinc/34/63/26/729346326.db2.gz SQDQKZLRRFUFLQ-UHFFFAOYSA-N 0 1 368.227 3.475 20 10 FGCDMN COC(=O)c1cc(C[N@@H+](C)Cc2ccc(Br)cc2[O-])oc1C ZINC000824542468 729346327 /nfs/dbraw/zinc/34/63/27/729346327.db2.gz SQDQKZLRRFUFLQ-UHFFFAOYSA-N 0 1 368.227 3.475 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824584052 729349207 /nfs/dbraw/zinc/34/92/07/729349207.db2.gz VWQRHOKSZGLMCC-GDBMZVCRSA-N 0 1 360.420 3.299 20 10 FGCDMN CCOC(=O)N(C)C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824694559 729355525 /nfs/dbraw/zinc/35/55/25/729355525.db2.gz OZKKWZOVISVYLV-UHFFFAOYSA-N 0 1 371.275 3.207 20 10 FGCDMN CCOC(=O)N(C)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824694559 729355527 /nfs/dbraw/zinc/35/55/27/729355527.db2.gz OZKKWZOVISVYLV-UHFFFAOYSA-N 0 1 371.275 3.207 20 10 FGCDMN COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(Br)cc2[O-])cc1 ZINC000824813988 729360056 /nfs/dbraw/zinc/36/00/56/729360056.db2.gz KJDVISNJHJLZHX-MRXNPFEDSA-N 0 1 366.255 3.329 20 10 FGCDMN COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(Br)cc2[O-])cc1 ZINC000824813988 729360057 /nfs/dbraw/zinc/36/00/57/729360057.db2.gz KJDVISNJHJLZHX-MRXNPFEDSA-N 0 1 366.255 3.329 20 10 FGCDMN COc1cc(Br)cc(CN[C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000825016763 729367886 /nfs/dbraw/zinc/36/78/86/729367886.db2.gz HRLYSTGQYIZIRE-JOYOIKCWSA-N 0 1 352.232 3.155 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)cc1Cl ZINC000825126863 729372138 /nfs/dbraw/zinc/37/21/38/729372138.db2.gz SRLCLZOVSCKOGI-UHFFFAOYSA-N 0 1 362.857 3.111 20 10 FGCDMN Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(Br)cc2[O-])c(C)o1 ZINC000825303646 729377788 /nfs/dbraw/zinc/37/77/88/729377788.db2.gz KXQZJNHKBIWMPS-INIZCTEOSA-N 0 1 354.244 3.362 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000825944138 729400242 /nfs/dbraw/zinc/40/02/42/729400242.db2.gz RAUPAUVLIVXCGK-FUHWJXTLSA-N 0 1 362.267 3.411 20 10 FGCDMN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1C ZINC000827537475 729431531 /nfs/dbraw/zinc/43/15/31/729431531.db2.gz DCYIIIVUERCMJL-SWLSCSKDSA-N 0 1 358.404 3.402 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(Br)ccc1[O-] ZINC000834851021 729839111 /nfs/dbraw/zinc/83/91/11/729839111.db2.gz SEAIHIOGVNDTFV-GDBMZVCRSA-N 0 1 371.319 3.042 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cc(Cl)ccc1[O-] ZINC000840796950 730175133 /nfs/dbraw/zinc/17/51/33/730175133.db2.gz ICBVKLFYYBHDKW-BLLLJJGKSA-N 0 1 355.862 3.112 20 10 FGCDMN Cc1ccc([C@@H](C[NH2+]Cc2c([O-])cc(C)cc2Cl)N2CCOCC2)o1 ZINC000840871877 730186081 /nfs/dbraw/zinc/18/60/81/730186081.db2.gz GUPRLFGAMOFORD-QGZVFWFLSA-N 0 1 364.873 3.419 20 10 FGCDMN COc1cc(CN2CCO[C@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC000842626168 730521436 /nfs/dbraw/zinc/52/14/36/730521436.db2.gz VEPPTSUBVFNYCS-LJQANCHMSA-N 0 1 351.512 3.406 20 10 FGCDMN Cn1nccc1[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)OC(C)(C)C ZINC000842774305 730541783 /nfs/dbraw/zinc/54/17/83/730541783.db2.gz FSBPXHZGOZJIDI-HNNXBMFYSA-N 0 1 369.824 3.091 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000846206256 730936427 /nfs/dbraw/zinc/93/64/27/730936427.db2.gz OQHVZEDCHPSEMC-IAQYHMDHSA-N 0 1 367.287 3.206 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1[O-] ZINC000848573673 731184624 /nfs/dbraw/zinc/18/46/24/731184624.db2.gz IPPDHTKZOFPCJI-TZMCWYRMSA-N 0 1 358.360 3.435 20 10 FGCDMN COc1c(O)c(C[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000848928951 731222092 /nfs/dbraw/zinc/22/20/92/731222092.db2.gz QKFHSPFTDZRJGW-CYBMUJFWSA-N 0 1 350.415 3.233 20 10 FGCDMN COc1c([O-])c(C[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000848928951 731222099 /nfs/dbraw/zinc/22/20/99/731222099.db2.gz QKFHSPFTDZRJGW-CYBMUJFWSA-N 0 1 350.415 3.233 20 10 FGCDMN CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854475302 731832528 /nfs/dbraw/zinc/83/25/28/731832528.db2.gz SPWOLTVETLRJRG-NSHDSACASA-N 0 1 373.202 3.492 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000858149908 732186083 /nfs/dbraw/zinc/18/60/83/732186083.db2.gz ZRUUAHKLUSCYAY-LLVKDONJSA-N 0 1 366.234 3.057 20 10 FGCDMN C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000858195393 732191270 /nfs/dbraw/zinc/19/12/70/732191270.db2.gz VDLFRRRFROEOTG-YVEFUNNKSA-N 0 1 350.256 3.409 20 10 FGCDMN COc1cccc([C@H](C)NCc2cc(Br)cnc2OC)c1O ZINC000858494841 732220486 /nfs/dbraw/zinc/22/04/86/732220486.db2.gz OTUCNVVSMWLISS-JTQLQIEISA-N 0 1 367.243 3.418 20 10 FGCDMN CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000858508221 732221891 /nfs/dbraw/zinc/22/18/91/732221891.db2.gz MGVMVYWRIWPDGB-ZWNOBZJWSA-N 0 1 354.244 3.457 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1[O-] ZINC000866530416 733361382 /nfs/dbraw/zinc/36/13/82/733361382.db2.gz ASYSFBZNSOMZKD-JSGCOSHPSA-N 0 1 370.287 3.391 20 10 FGCDMN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822734 736730546 /nfs/dbraw/zinc/73/05/46/736730546.db2.gz HTOJZRMEPANIOQ-WMLDXEAASA-N 0 1 358.404 3.065 20 10 FGCDMN CN1CCN(c2ccc(CNC(=O)CC[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000881855183 737390101 /nfs/dbraw/zinc/39/01/01/737390101.db2.gz QTAKQZUKRVVJJQ-HNNXBMFYSA-N 0 1 370.324 3.029 20 10 FGCDMN CN1CCN(c2ccc(CNC(=O)c3sccc3C3CC3)cc2)CC1 ZINC000881851715 737390212 /nfs/dbraw/zinc/39/02/12/737390212.db2.gz PFFIUXQBTGWSHQ-UHFFFAOYSA-N 0 1 355.507 3.307 20 10 FGCDMN OCC[C@@H](NCc1cc(Cl)cc(Br)c1O)C(F)(F)F ZINC000886370122 739250591 /nfs/dbraw/zinc/25/05/91/739250591.db2.gz WWFKYRNHLKWXLJ-SECBINFHSA-N 0 1 362.573 3.211 20 10 FGCDMN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Br)cc(F)c3O)[C@H]2C1 ZINC000894095346 742238738 /nfs/dbraw/zinc/23/87/38/742238738.db2.gz PQJKMLWAOPKJOG-SNPRPXQTSA-N 0 1 374.250 3.062 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897429133 742678464 /nfs/dbraw/zinc/67/84/64/742678464.db2.gz ASIKSCDHWRUNKV-UHFFFAOYSA-N 0 1 350.260 3.441 20 10 FGCDMN C[C@H]1C[C@H](NCc2cn(C)nc2Br)c2c1c(F)ccc2O ZINC000903187928 743819749 /nfs/dbraw/zinc/81/97/49/743819749.db2.gz LCDCYKPKMTYZNB-KWQFWETISA-N 0 1 354.223 3.365 20 10 FGCDMN Cn1nc(C(F)(F)F)cc1CNCc1c(O)cccc1Br ZINC000922714427 758989586 /nfs/dbraw/zinc/98/95/86/758989586.db2.gz XTIJBHWTDBJRFW-UHFFFAOYSA-N 0 1 364.165 3.197 20 10 FGCDMN CC(=O)c1cc(F)cc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000079498269 494465561 /nfs/dbraw/zinc/46/55/61/494465561.db2.gz WZVWLOZYHGNHBE-GOSISDBHSA-N 0 1 365.445 3.284 20 10 FGCDMN Cc1ccc(O)c(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000092512381 494652982 /nfs/dbraw/zinc/65/29/82/494652982.db2.gz OCTDHBBKJIXREL-UHFFFAOYSA-N 0 1 363.479 3.005 20 10 FGCDMN O=S(=O)(CCC[NH2+]Cc1c([O-])cccc1Cl)Cc1ccccc1 ZINC000113325364 495296575 /nfs/dbraw/zinc/29/65/75/495296575.db2.gz QSLKQLXASSKADK-UHFFFAOYSA-N 0 1 353.871 3.140 20 10 FGCDMN C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000186868745 496188180 /nfs/dbraw/zinc/18/81/80/496188180.db2.gz LVIBUSFMAAJLLU-NSHDSACASA-N 0 1 364.305 3.020 20 10 FGCDMN CC[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccccc1O ZINC000157424575 496475376 /nfs/dbraw/zinc/47/53/76/496475376.db2.gz JCIMZCOKTJDUJC-RTBURBONSA-N 0 1 353.466 3.405 20 10 FGCDMN C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(F)c(F)c1O ZINC000187841266 496590526 /nfs/dbraw/zinc/59/05/26/496590526.db2.gz DDOZABYOMZRCKE-LLVKDONJSA-N 0 1 350.365 3.311 20 10 FGCDMN C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Br)cc1[O-] ZINC000185052574 496639139 /nfs/dbraw/zinc/63/91/39/496639139.db2.gz JAKVXAMNWJZZFK-NSHDSACASA-N 0 1 356.260 3.491 20 10 FGCDMN C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Br)cc1[O-] ZINC000185052593 496639504 /nfs/dbraw/zinc/63/95/04/496639504.db2.gz JAKVXAMNWJZZFK-LLVKDONJSA-N 0 1 356.260 3.491 20 10 FGCDMN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000185322399 496728913 /nfs/dbraw/zinc/72/89/13/496728913.db2.gz XFDUKFWJBGIDNO-RYUDHWBXSA-N 0 1 368.886 3.366 20 10 FGCDMN Brc1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000189504699 497141327 /nfs/dbraw/zinc/14/13/27/497141327.db2.gz XEKXDOUGGUFHRJ-UHFFFAOYSA-N 0 1 351.244 3.169 20 10 FGCDMN CCN(CC)CC(=O)Nc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000288553511 497829545 /nfs/dbraw/zinc/82/95/45/497829545.db2.gz XXEUJNKOQHNVNO-UHFFFAOYSA-N 0 1 371.437 3.013 20 10 FGCDMN COc1ccc(CNCc2cccc(OC)c2O)c(Br)c1 ZINC000289184823 498051219 /nfs/dbraw/zinc/05/12/19/498051219.db2.gz AVPFUJHODLNYTN-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN FC(F)Oc1ccc(N2CCC[C@H](Nc3ncnc4[nH]cnc43)C2)cc1 ZINC000301476086 498127727 /nfs/dbraw/zinc/12/77/27/498127727.db2.gz SRXMKTYJOWHXRS-NSHDSACASA-N 0 1 360.368 3.035 20 10 FGCDMN COc1cccc(OC)c1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000285625567 498151696 /nfs/dbraw/zinc/15/16/96/498151696.db2.gz ZQZCTTARWPUOLD-UHFFFAOYSA-N 0 1 370.493 3.202 20 10 FGCDMN OC[C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000289589249 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Cc1nc2c(cccc2C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC000284289350 499083452 /nfs/dbraw/zinc/08/34/52/499083452.db2.gz FWYSQVLPCBRAEG-MRXNPFEDSA-N 0 1 365.433 3.398 20 10 FGCDMN CC[C@H](c1ccccc1O)[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693045 499720841 /nfs/dbraw/zinc/72/08/41/499720841.db2.gz CGKFDJZKBVSVSJ-WMLDXEAASA-N 0 1 356.470 3.148 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000428091890 500468047 /nfs/dbraw/zinc/46/80/47/500468047.db2.gz NJXGKQNXYURRAG-YPGOJHLTSA-N 0 1 351.494 3.323 20 10 FGCDMN COCCN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C1CC1 ZINC000435545727 500990578 /nfs/dbraw/zinc/99/05/78/500990578.db2.gz LSEBCCGBMKNNML-UHFFFAOYSA-N 0 1 369.509 3.045 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCO[C@@H](C)C2)C1 ZINC000435734631 501020564 /nfs/dbraw/zinc/02/05/64/501020564.db2.gz GOQNAAHNYYMLNQ-KRWDZBQOSA-N 0 1 369.509 3.045 20 10 FGCDMN CN(C[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1)C(=O)[O-] ZINC000739665603 602524688 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[O-]c1ccc(Br)cc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000809713356 725261640 /nfs/dbraw/zinc/26/16/40/725261640.db2.gz NFQDGTRVBQJVQG-JQWIXIFHSA-N 0 1 354.166 3.354 20 10 FGCDMN CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225417 725298082 /nfs/dbraw/zinc/29/80/82/725298082.db2.gz CYHABFJPCJZQGY-GWCFXTLKSA-N 0 1 353.406 3.275 20 10 FGCDMN [O-]c1c(F)cc(Cl)cc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000812779032 726810215 /nfs/dbraw/zinc/81/02/15/726810215.db2.gz TYTQLRBYSXFQSO-MRXNPFEDSA-N 0 1 350.821 3.363 20 10 FGCDMN [O-]c1c(F)cc(Cl)cc1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000812779032 726810216 /nfs/dbraw/zinc/81/02/16/726810216.db2.gz TYTQLRBYSXFQSO-MRXNPFEDSA-N 0 1 350.821 3.363 20 10 FGCDMN CCN(CC)c1ccc(CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000814170646 726944238 /nfs/dbraw/zinc/94/42/38/726944238.db2.gz BCMQDURSIQLLHY-GOSISDBHSA-N 0 1 352.544 3.322 20 10 FGCDMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)O1 ZINC000816496573 727168016 /nfs/dbraw/zinc/16/80/16/727168016.db2.gz OTSMUMRHCCZCOX-VNHYZAJKSA-N 0 1 356.869 3.258 20 10 FGCDMN COc1cc(N2CCN(Cc3ccsc3C)CC2)cc(OC)c1OC ZINC000816569365 727176782 /nfs/dbraw/zinc/17/67/82/727176782.db2.gz JDMZGSITKGZMIH-UHFFFAOYSA-N 0 1 362.495 3.405 20 10 FGCDMN O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816615062 727180733 /nfs/dbraw/zinc/18/07/33/727180733.db2.gz MCVXPCTYZBVDOH-CYBMUJFWSA-N 0 1 356.825 3.428 20 10 FGCDMN CC[C@@H](NCc1nn(CC)nc1C)c1cc(Br)ccc1O ZINC000818346864 727308733 /nfs/dbraw/zinc/30/87/33/727308733.db2.gz VPPATHWYOCLUGJ-CYBMUJFWSA-N 0 1 353.264 3.315 20 10 FGCDMN C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1[O-] ZINC000822525456 729190441 /nfs/dbraw/zinc/19/04/41/729190441.db2.gz HFCQOACVXGKDTM-UHFFFAOYSA-N 0 1 358.825 3.164 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824565418 729347882 /nfs/dbraw/zinc/34/78/82/729347882.db2.gz UISVHVXZKQRTPG-ZBFHGGJFSA-N 0 1 360.420 3.299 20 10 FGCDMN CCOC(=O)c1cnn(C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)c1 ZINC000824609061 729350664 /nfs/dbraw/zinc/35/06/64/729350664.db2.gz VXIAPGRKCGGIDL-UHFFFAOYSA-N 0 1 363.845 3.256 20 10 FGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000824836205 729361114 /nfs/dbraw/zinc/36/11/14/729361114.db2.gz JRGZCVUAXGUBGQ-CYBMUJFWSA-N 0 1 362.817 3.344 20 10 FGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000824836205 729361117 /nfs/dbraw/zinc/36/11/17/729361117.db2.gz JRGZCVUAXGUBGQ-CYBMUJFWSA-N 0 1 362.817 3.344 20 10 FGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000824836207 729361220 /nfs/dbraw/zinc/36/12/20/729361220.db2.gz JRGZCVUAXGUBGQ-ZDUSSCGKSA-N 0 1 362.817 3.344 20 10 FGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000824836207 729361223 /nfs/dbraw/zinc/36/12/23/729361223.db2.gz JRGZCVUAXGUBGQ-ZDUSSCGKSA-N 0 1 362.817 3.344 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000825102210 729370836 /nfs/dbraw/zinc/37/08/36/729370836.db2.gz LCVBZYIMRPSURD-UHFFFAOYSA-N 0 1 362.271 3.440 20 10 FGCDMN COc1cc(Cl)cc(CN2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000825124761 729371938 /nfs/dbraw/zinc/37/19/38/729371938.db2.gz XPBUAUSQOVMTDY-LLVKDONJSA-N 0 1 366.811 3.370 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000825191226 729374178 /nfs/dbraw/zinc/37/41/78/729374178.db2.gz ZGQILFNUCRSGTI-NWDGAFQWSA-N 0 1 355.276 3.034 20 10 FGCDMN CCc1cc(N2CCC([NH2+]Cc3cc(Cl)c(C)cc3[O-])CC2)ncn1 ZINC000825332022 729379024 /nfs/dbraw/zinc/37/90/24/729379024.db2.gz UVJXEGMOXQUFJW-UHFFFAOYSA-N 0 1 360.889 3.465 20 10 FGCDMN O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825341641 729379385 /nfs/dbraw/zinc/37/93/85/729379385.db2.gz PHKNVPOWLKQSLA-OAHLLOKOSA-N 0 1 367.287 3.035 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@H](O)Cc1ccccc1 ZINC000825371296 729380748 /nfs/dbraw/zinc/38/07/48/729380748.db2.gz VSLHAXBRMIFLCD-MLGOLLRUSA-N 0 1 350.256 3.236 20 10 FGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1Cl ZINC000825384689 729381117 /nfs/dbraw/zinc/38/11/17/729381117.db2.gz HSMMBXFLJUNMFG-CYBMUJFWSA-N 0 1 357.841 3.242 20 10 FGCDMN C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825451562 729383831 /nfs/dbraw/zinc/38/38/31/729383831.db2.gz XEWWZEBQHGOJHB-QVKFZJNVSA-N 0 1 368.296 3.364 20 10 FGCDMN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000825885628 729398386 /nfs/dbraw/zinc/39/83/86/729398386.db2.gz IQPRTONTKRRKBV-CQSZACIVSA-N 0 1 351.752 3.281 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000825943336 729400283 /nfs/dbraw/zinc/40/02/83/729400283.db2.gz CIQYIZSQARZOTA-UHFFFAOYSA-N 0 1 362.271 3.440 20 10 FGCDMN Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(Br)cc2[O-])cn1 ZINC000827329288 729428778 /nfs/dbraw/zinc/42/87/78/729428778.db2.gz XQGPXNYNQNACLK-BBRMVZONSA-N 0 1 364.287 3.389 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000827650382 729432864 /nfs/dbraw/zinc/43/28/64/729432864.db2.gz QBNJSEDJURURKM-UHFFFAOYSA-N 0 1 350.203 3.185 20 10 FGCDMN C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000827733701 729433927 /nfs/dbraw/zinc/43/39/27/729433927.db2.gz LZGYHVSUMFOHER-PXAZEXFGSA-N 0 1 350.256 3.409 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(Br)ccc1[O-] ZINC000834849641 729839035 /nfs/dbraw/zinc/83/90/35/729839035.db2.gz DMEXVTKSLZQGCM-ZBFHGGJFSA-N 0 1 371.319 3.042 20 10 FGCDMN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000835083126 729857731 /nfs/dbraw/zinc/85/77/31/729857731.db2.gz ZHYYBPHFFJYXOJ-CYBMUJFWSA-N 0 1 370.877 3.161 20 10 FGCDMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000835083126 729857733 /nfs/dbraw/zinc/85/77/33/729857733.db2.gz ZHYYBPHFFJYXOJ-CYBMUJFWSA-N 0 1 370.877 3.161 20 10 FGCDMN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2c(O)cccc2Cl)CCCO1 ZINC000835083126 729857734 /nfs/dbraw/zinc/85/77/34/729857734.db2.gz ZHYYBPHFFJYXOJ-CYBMUJFWSA-N 0 1 370.877 3.161 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1(CF)CCOCC1 ZINC000836600261 729962022 /nfs/dbraw/zinc/96/20/22/729962022.db2.gz SCRNUYACEZHHNT-UHFFFAOYSA-N 0 1 365.232 3.265 20 10 FGCDMN O=C(NCc1cccc(Br)c1[O-])C1C[NH+](C2CCCCC2)C1 ZINC000837583082 730044283 /nfs/dbraw/zinc/04/42/83/730044283.db2.gz WGPBDODAAOGQKI-UHFFFAOYSA-N 0 1 367.287 3.035 20 10 FGCDMN COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841743157 730269786 /nfs/dbraw/zinc/26/97/86/730269786.db2.gz DJKDBCUVKXFOSQ-DIFFPNOSSA-N 0 1 351.830 3.447 20 10 FGCDMN COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751520 730270745 /nfs/dbraw/zinc/27/07/45/730270745.db2.gz HQENERMDLXIPMO-ZDUSSCGKSA-N 0 1 362.857 3.064 20 10 FGCDMN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000850384972 731350560 /nfs/dbraw/zinc/35/05/60/731350560.db2.gz VSUQINUJAWWUDF-XJKSGUPXSA-N 0 1 364.287 3.389 20 10 FGCDMN Cc1ccncc1CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000852497176 731593365 /nfs/dbraw/zinc/59/33/65/731593365.db2.gz UBAOXCQIBMZUHJ-UHFFFAOYSA-N 0 1 354.237 3.444 20 10 FGCDMN COc1cc(F)ccc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000853073159 731660665 /nfs/dbraw/zinc/66/06/65/731660665.db2.gz HGUHDYYCAXRNIZ-UHFFFAOYSA-N 0 1 350.415 3.235 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000858086599 732178881 /nfs/dbraw/zinc/17/88/81/732178881.db2.gz CHADZMYRXXXQHX-NSHDSACASA-N 0 1 350.212 3.084 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000858095297 732180015 /nfs/dbraw/zinc/18/00/15/732180015.db2.gz RUUYPKKEXUMCKG-UHFFFAOYSA-N 0 1 362.271 3.440 20 10 FGCDMN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2c([O-])cccc2Br)cn1 ZINC000858191947 732190917 /nfs/dbraw/zinc/19/09/17/732190917.db2.gz FRKABGARJSPBAV-XJKSGUPXSA-N 0 1 364.287 3.389 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cc(Br)ccc1[O-] ZINC000858475499 732218732 /nfs/dbraw/zinc/21/87/32/732218732.db2.gz ZUVJLQIGQFNFQM-JSGCOSHPSA-N 0 1 354.244 3.457 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000862365214 732816522 /nfs/dbraw/zinc/81/65/22/732816522.db2.gz MQRULKYBQTXRGB-CYBMUJFWSA-N 0 1 368.193 3.434 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000862365214 732816526 /nfs/dbraw/zinc/81/65/26/732816526.db2.gz MQRULKYBQTXRGB-CYBMUJFWSA-N 0 1 368.193 3.434 20 10 FGCDMN C[N@H+](Cc1c([O-])cccc1Br)C[C@](C)(O)c1ccccc1 ZINC000862397188 732824720 /nfs/dbraw/zinc/82/47/20/732824720.db2.gz CRSOTIMJFMJZDK-KRWDZBQOSA-N 0 1 350.256 3.494 20 10 FGCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@](C)(O)c1ccccc1 ZINC000862397188 732824721 /nfs/dbraw/zinc/82/47/21/732824721.db2.gz CRSOTIMJFMJZDK-KRWDZBQOSA-N 0 1 350.256 3.494 20 10 FGCDMN CC(=O)c1csc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891251871 739886382 /nfs/dbraw/zinc/88/63/82/739886382.db2.gz HTNYGGJIDOCTLB-KRWDZBQOSA-N 0 1 359.495 3.049 20 10 FGCDMN COc1cc(C)cc(C[NH2+]Cc2cc(Br)ccc2[O-])c1O ZINC000894755532 742328126 /nfs/dbraw/zinc/32/81/26/742328126.db2.gz SIPMRUUATZFCOE-UHFFFAOYSA-N 0 1 352.228 3.467 20 10 FGCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@]2(CCSC2)C1 ZINC000895076275 742372239 /nfs/dbraw/zinc/37/22/39/742372239.db2.gz NXXWLDSFYDUPPV-CQSZACIVSA-N 0 1 362.264 3.002 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000897539474 742687035 /nfs/dbraw/zinc/68/70/35/742687035.db2.gz DKTJSNCPWHYPLU-UHFFFAOYSA-N 0 1 363.832 3.338 20 10 FGCDMN CN(C)c1ccnc(CNC(=S)Nc2ccc(OC(F)F)cc2)c1 ZINC000905618332 744037365 /nfs/dbraw/zinc/03/73/65/744037365.db2.gz WLWXRIGLOMGXSH-UHFFFAOYSA-N 0 1 352.410 3.236 20 10 FGCDMN C[C@H](c1cccc(C(F)(F)F)c1[O-])N1CCc2sc(C[NH3+])nc2C1 ZINC000925750000 759530298 /nfs/dbraw/zinc/53/02/98/759530298.db2.gz BZYWPSJDLUQVGQ-SECBINFHSA-N 0 1 357.401 3.446 20 10 FGCDMN C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(Br)cc1[O-] ZINC000927059578 759883517 /nfs/dbraw/zinc/88/35/17/759883517.db2.gz DMAAQCYQKMDACU-LHAJWOIZSA-N 0 1 356.260 3.488 20 10 FGCDMN COc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1OC ZINC000008493728 494093364 /nfs/dbraw/zinc/09/33/64/494093364.db2.gz CGECBIFRIDWOOE-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092661175 494700712 /nfs/dbraw/zinc/70/07/12/494700712.db2.gz XIZMLPKQQVQHAT-INIZCTEOSA-N 0 1 370.287 3.315 20 10 FGCDMN C[C@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccccc1O ZINC000109772891 494916704 /nfs/dbraw/zinc/91/67/04/494916704.db2.gz SFASSFLKFZLYHR-GFCCVEGCSA-N 0 1 350.365 3.453 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151341205 495808836 /nfs/dbraw/zinc/80/88/36/495808836.db2.gz CYFAHGWPLMZXDP-ZFWWWQNUSA-N 0 1 358.301 3.299 20 10 FGCDMN COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000186128254 495865564 /nfs/dbraw/zinc/86/55/64/495865564.db2.gz AOKGNHNQVFZDMP-HNNXBMFYSA-N 0 1 356.466 3.224 20 10 FGCDMN COc1cc(C)c(NS(=O)(=O)c2cccc3nsnc32)c(C)c1C ZINC000572198440 505911853 /nfs/dbraw/zinc/91/18/53/505911853.db2.gz ILHFPHFQMRYKQO-UHFFFAOYSA-N 0 1 363.464 3.426 20 10 FGCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n[nH]1 ZINC000277256467 497789130 /nfs/dbraw/zinc/78/91/30/497789130.db2.gz 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CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000814170811 726944280 /nfs/dbraw/zinc/94/42/80/726944280.db2.gz DAAUZNLLSVLSAY-IBGZPJMESA-N 0 1 364.555 3.466 20 10 FGCDMN COC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)c1ccc(OC)cc1 ZINC000816574449 727177077 /nfs/dbraw/zinc/17/70/77/727177077.db2.gz HZERDZSYJQJNMT-MRXNPFEDSA-N 0 1 353.777 3.197 20 10 FGCDMN C[C@]1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817549002 727263804 /nfs/dbraw/zinc/26/38/04/727263804.db2.gz GPMCEQSCNSFNQU-CZUORRHYSA-N 0 1 358.816 3.172 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)N)c1cc(Br)cc(Br)c1[O-] ZINC000817961015 727289852 /nfs/dbraw/zinc/28/98/52/727289852.db2.gz WFFVPCVYYVTOTL-ZETCQYMHSA-N 0 1 366.097 3.305 20 10 FGCDMN COc1ccc(OC)c(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825077723 729369948 /nfs/dbraw/zinc/36/99/48/729369948.db2.gz GJOASQAPDFQNBV-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN COCCOc1ccccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825130506 729372239 /nfs/dbraw/zinc/37/22/39/729372239.db2.gz BBPHRTJPGZPKCU-UHFFFAOYSA-N 0 1 366.255 3.470 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000825191227 729374095 /nfs/dbraw/zinc/37/40/95/729374095.db2.gz ZGQILFNUCRSGTI-RYUDHWBXSA-N 0 1 355.276 3.034 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)cc1Cl ZINC000825246562 729375778 /nfs/dbraw/zinc/37/57/78/729375778.db2.gz DGRIBPVNSXIHMI-LBPRGKRZSA-N 0 1 357.784 3.162 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000825353622 729380068 /nfs/dbraw/zinc/38/00/68/729380068.db2.gz OIJDDLFBBFLVDT-ZFWWWQNUSA-N 0 1 358.301 3.299 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1Cl ZINC000825421889 729382841 /nfs/dbraw/zinc/38/28/41/729382841.db2.gz HWCILKUUHPIPIE-UHFFFAOYSA-N 0 1 353.871 3.188 20 10 FGCDMN Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825715536 729392626 /nfs/dbraw/zinc/39/26/26/729392626.db2.gz ACFYXBHVDFTGJW-ZDUSSCGKSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825715536 729392627 /nfs/dbraw/zinc/39/26/27/729392627.db2.gz ACFYXBHVDFTGJW-ZDUSSCGKSA-N 0 1 350.260 3.268 20 10 FGCDMN OC[C@H]1CN(Cc2ccc(Br)cc2O)CC[C@@H]1C(F)(F)F ZINC000825887625 729398545 /nfs/dbraw/zinc/39/85/45/729398545.db2.gz VSAFRKXYYQJENN-PWSUYJOCSA-N 0 1 368.193 3.147 20 10 FGCDMN O=C(CSC1CC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827095859 729424175 /nfs/dbraw/zinc/42/41/75/729424175.db2.gz MKZIIFOOVMVFHY-AWEZNQCLSA-N 0 1 354.903 3.022 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377528 729429585 /nfs/dbraw/zinc/42/95/85/729429585.db2.gz ZXJSGMMASBVXOW-BBRMVZONSA-N 0 1 350.415 3.090 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827856427 729436074 /nfs/dbraw/zinc/43/60/74/729436074.db2.gz OUJKUKCUNHDCQM-HNNXBMFYSA-N 0 1 371.319 3.006 20 10 FGCDMN CC1(c2nnc(-c3cccnc3)o2)CN(Cc2cc(Cl)ccc2O)C1 ZINC000828044291 729439123 /nfs/dbraw/zinc/43/91/23/729439123.db2.gz ODOLPGIKHTWDSO-UHFFFAOYSA-N 0 1 356.813 3.264 20 10 FGCDMN CC1(c2nnc(-c3cccnc3)o2)CN(Cc2c(O)cccc2Cl)C1 ZINC000828044084 729439142 /nfs/dbraw/zinc/43/91/42/729439142.db2.gz KJCYEMDLUKANQN-UHFFFAOYSA-N 0 1 356.813 3.264 20 10 FGCDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000834871347 729840098 /nfs/dbraw/zinc/84/00/98/729840098.db2.gz NNQAHHMYFFGALH-LBPRGKRZSA-N 0 1 361.877 3.023 20 10 FGCDMN CC[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)ccc1[O-] ZINC000834891057 729844109 /nfs/dbraw/zinc/84/41/09/729844109.db2.gz LVIRMMDJUMTAKZ-LZWOXQAQSA-N 0 1 369.303 3.059 20 10 FGCDMN Cc1ncc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000840760034 730170390 /nfs/dbraw/zinc/17/03/90/730170390.db2.gz QNUMYPTYPUHOQV-LLVKDONJSA-N 0 1 353.438 3.417 20 10 FGCDMN C[C@@H](NCCS(=O)(=O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000840882089 730187689 /nfs/dbraw/zinc/18/76/89/730187689.db2.gz NCGHCOUNCSKKSZ-CQSZACIVSA-N 0 1 354.491 3.044 20 10 FGCDMN CCc1cc(N2CCC([NH2+]Cc3c([O-])cc(C)cc3Cl)CC2)ncn1 ZINC000840902408 730189515 /nfs/dbraw/zinc/18/95/15/730189515.db2.gz PNQXHCADJKHLSE-UHFFFAOYSA-N 0 1 360.889 3.465 20 10 FGCDMN Nc1ccc(NC(=O)NC[C@H]2CSCCN2Cc2ccccc2)cc1 ZINC000841297468 730231054 /nfs/dbraw/zinc/23/10/54/730231054.db2.gz QPUATQDZXXCQLB-SFHVURJKSA-N 0 1 356.495 3.008 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1[O-] ZINC000841759028 730271387 /nfs/dbraw/zinc/27/13/87/730271387.db2.gz WZULDIOIGWAMFC-GFCCVEGCSA-N 0 1 368.886 3.147 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)cc1[O-] ZINC000841764863 730271996 /nfs/dbraw/zinc/27/19/96/730271996.db2.gz SHAXEEQNABCJCZ-JSGCOSHPSA-N 0 1 359.857 3.074 20 10 FGCDMN CC(C)(C)OC(=O)CC[N@@H+](Cc1cc(F)ccc1O)C1CCOCC1 ZINC000843413023 730617120 /nfs/dbraw/zinc/61/71/20/730617120.db2.gz DGEOAHCDRNWGMU-UHFFFAOYSA-N 0 1 353.434 3.244 20 10 FGCDMN O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843429252 730620224 /nfs/dbraw/zinc/62/02/24/730620224.db2.gz UFPHQWFKTBTSSJ-CQSZACIVSA-N 0 1 362.832 3.323 20 10 FGCDMN COc1ccc(N(C)CCN(C)Cc2ccc(Br)cn2)cc1 ZINC000844401083 730712960 /nfs/dbraw/zinc/71/29/60/730712960.db2.gz KHEZKBWCPDOLNQ-UHFFFAOYSA-N 0 1 364.287 3.421 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846073628 730925451 /nfs/dbraw/zinc/92/54/51/730925451.db2.gz QNUKKAHVTAAJRC-NHYWBVRUSA-N 0 1 356.388 3.463 20 10 FGCDMN CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000850484043 731361668 /nfs/dbraw/zinc/36/16/68/731361668.db2.gz BFISUVLRSUONLB-PJODQICGSA-N 0 1 358.276 3.247 20 10 FGCDMN CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000850484044 731361686 /nfs/dbraw/zinc/36/16/86/731361686.db2.gz BFISUVLRSUONLB-WPGHFRTFSA-N 0 1 358.276 3.247 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(Br)cc1[O-] ZINC000850503818 731365953 /nfs/dbraw/zinc/36/59/53/731365953.db2.gz ZABBKUKKSXRFDB-YBQGDOTASA-N 0 1 360.317 3.495 20 10 FGCDMN COC(=O)c1nc(CN[C@H](C)c2cc(OC)ccc2O)ccc1Cl ZINC000850512557 731366720 /nfs/dbraw/zinc/36/67/20/731366720.db2.gz HHHTVHBAFQVTKU-SNVBAGLBSA-N 0 1 350.802 3.087 20 10 FGCDMN CC(C)OC(=O)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858136565 732184262 /nfs/dbraw/zinc/18/42/62/732184262.db2.gz OQLHNLOXSUYZCF-UHFFFAOYSA-N 0 1 371.275 3.254 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC000858142867 732185254 /nfs/dbraw/zinc/18/52/54/732185254.db2.gz PGNVLFNSEDLUCL-AWEZNQCLSA-N 0 1 350.256 3.411 20 10 FGCDMN CN(C)c1cc(F)c(CNC[C@H](O)c2cc(F)c(F)c(F)c2)cc1F ZINC000858196848 732191513 /nfs/dbraw/zinc/19/15/13/732191513.db2.gz VUGPWVHZCKCZQL-INIZCTEOSA-N 0 1 360.326 3.271 20 10 FGCDMN Cc1csc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000858352832 732206489 /nfs/dbraw/zinc/20/64/89/732206489.db2.gz GFNLUUYGPUMHOP-GOEBONIOSA-N 0 1 358.511 3.004 20 10 FGCDMN CC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cc(Br)ccc1[O-] ZINC000858475496 732218672 /nfs/dbraw/zinc/21/86/72/732218672.db2.gz ZUVJLQIGQFNFQM-GXTWGEPZSA-N 0 1 354.244 3.457 20 10 FGCDMN CCO[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241898 732480163 /nfs/dbraw/zinc/48/01/63/732480163.db2.gz MZTJELHLFTZIDH-FUHWJXTLSA-N 0 1 368.905 3.187 20 10 FGCDMN CC(C)N(C)C(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862228532 732790046 /nfs/dbraw/zinc/79/00/46/732790046.db2.gz RPXJIXCUNMLRLA-UHFFFAOYSA-N 0 1 369.303 3.234 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000862237235 732793553 /nfs/dbraw/zinc/79/35/53/732793553.db2.gz YFHFHLRNXCTEOA-AWEZNQCLSA-N 0 1 370.287 3.315 20 10 FGCDMN COc1cc(Br)c(CNCc2cc(C)ccc2O)cc1O ZINC000862475909 732839388 /nfs/dbraw/zinc/83/93/88/732839388.db2.gz BKKGCLIPENEKGS-UHFFFAOYSA-N 0 1 352.228 3.467 20 10 FGCDMN CN(C)c1ccc(CN[C@@H]2CCN(C3CCC3)C2=O)c(C(F)(F)F)c1 ZINC000862549950 732849368 /nfs/dbraw/zinc/84/93/68/732849368.db2.gz AWCXEEBIRSLFCQ-MRXNPFEDSA-N 0 1 355.404 3.014 20 10 FGCDMN COc1c(F)cccc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000872003266 735572129 /nfs/dbraw/zinc/57/21/29/735572129.db2.gz NYXAGERSDMMBQO-UHFFFAOYSA-N 0 1 350.415 3.235 20 10 FGCDMN CO[C@H]1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])Cc3cccnc3N2C1 ZINC000877688226 736704905 /nfs/dbraw/zinc/70/49/05/736704905.db2.gz RPMIIGCELVUKCV-HOTGVXAUSA-N 0 1 359.857 3.050 20 10 FGCDMN COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@@H]1CCCOC1 ZINC000886788778 739299941 /nfs/dbraw/zinc/29/99/41/739299941.db2.gz ISHIMQZSCKXEHQ-ZOWXZIJZSA-N 0 1 358.276 3.247 20 10 FGCDMN CC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891256483 739887238 /nfs/dbraw/zinc/88/72/38/739887238.db2.gz YSELTLSRKIKKID-MRXNPFEDSA-N 0 1 359.495 3.049 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000895052792 742369147 /nfs/dbraw/zinc/36/91/47/742369147.db2.gz APXNEBNOCMUOEX-LBPRGKRZSA-N 0 1 371.666 3.237 20 10 FGCDMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000896492880 742558523 /nfs/dbraw/zinc/55/85/23/742558523.db2.gz XILWFINOHDZVMJ-GFCCVEGCSA-N 0 1 350.260 3.268 20 10 FGCDMN Cc1cnccc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000577045767 505651785 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COC(=O)C[C@](C)(NCc1cc(Cl)cc(OC)c1O)c1ccncc1 ZINC000191904069 496927032 /nfs/dbraw/zinc/92/70/32/496927032.db2.gz YWFPCTWATJRLGQ-SFHVURJKSA-N 0 1 364.829 3.017 20 10 FGCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000275122464 497239956 /nfs/dbraw/zinc/23/99/56/497239956.db2.gz HNDAQRDYHXFHPQ-MRVPVSSYSA-N 0 1 371.186 3.199 20 10 FGCDMN CN(C)c1ccc(CN2CCC(N3CCCC3=O)CC2)c(C(F)(F)F)c1 ZINC000279558426 497471596 /nfs/dbraw/zinc/47/15/96/497471596.db2.gz FAZIVLBILAXTME-UHFFFAOYSA-N 0 1 369.431 3.358 20 10 FGCDMN CC(=O)N(C)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279748308 497529227 /nfs/dbraw/zinc/52/92/27/497529227.db2.gz XVMLAKCCXXGIOU-UHFFFAOYSA-N 0 1 357.420 3.214 20 10 FGCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n[nH]1 ZINC000276783560 497652463 /nfs/dbraw/zinc/65/24/63/497652463.db2.gz ASZFJCKJSAFPLT-LSDHHAIUSA-N 0 1 368.485 3.255 20 10 FGCDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n[nH]1 ZINC000276783558 497652713 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FGCDMN CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)ccc1O ZINC000768163479 723649071 /nfs/dbraw/zinc/64/90/71/723649071.db2.gz PTMPZBHOLIYXNR-UHFFFAOYSA-N 0 1 350.821 3.323 20 10 FGCDMN CCC(CC)C(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000768334676 723654283 /nfs/dbraw/zinc/65/42/83/723654283.db2.gz OQHBOPLCIDTCSA-UHFFFAOYSA-N 0 1 369.303 3.235 20 10 FGCDMN CC1(C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)OCCO1 ZINC000769399917 723684514 /nfs/dbraw/zinc/68/45/14/723684514.db2.gz YIGFGOOIIGRFMA-UHFFFAOYSA-N 0 1 356.260 3.130 20 10 FGCDMN CCO[C@@H](C)c1noc(CN(C)Cc2cccc(Br)c2O)n1 ZINC000769503482 723687814 /nfs/dbraw/zinc/68/78/14/723687814.db2.gz ZVGZGVNVWQWFTQ-JTQLQIEISA-N 0 1 370.247 3.267 20 10 FGCDMN O=[N+]([O-])c1cc(CN[C@@H](CO)c2ccsc2)ccc1N1CCCCC1 ZINC000769931843 723701214 /nfs/dbraw/zinc/70/12/14/723701214.db2.gz CVSQZZQSGWBRHA-INIZCTEOSA-N 0 1 361.467 3.470 20 10 FGCDMN CCC[C@H]1CN(Cc2cccc(Br)c2[O-])CC[N@H+]1CCOC ZINC000770284348 723710388 /nfs/dbraw/zinc/71/03/88/723710388.db2.gz OYSLRHBEDBIBFF-HNNXBMFYSA-N 0 1 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CC[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc(N(C)C)cc1 ZINC000786961306 725010234 /nfs/dbraw/zinc/01/02/34/725010234.db2.gz LDYGPLALDMQHJM-MRXNPFEDSA-N 0 1 352.525 3.459 20 10 FGCDMN CCN(C)c1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000786964326 725010498 /nfs/dbraw/zinc/01/04/98/725010498.db2.gz XMSMPWQRXPMAAK-ZDUSSCGKSA-N 0 1 352.525 3.459 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000805071481 725048004 /nfs/dbraw/zinc/04/80/04/725048004.db2.gz VENYCXZPRXRYCY-ZIAGYGMSSA-N 0 1 358.269 3.125 20 10 FGCDMN C[N@@H+](CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C1CCCC1 ZINC000805078379 725048367 /nfs/dbraw/zinc/04/83/67/725048367.db2.gz ATDQXVURGFATQX-UHFFFAOYSA-N 0 1 360.285 3.373 20 10 FGCDMN CCn1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1=O ZINC000788608885 725075668 /nfs/dbraw/zinc/07/56/68/725075668.db2.gz QVYZWKVRZXELLF-LLVKDONJSA-N 0 1 351.244 3.187 20 10 FGCDMN O=C(NCc1cn2ccsc2n1)NCc1cc(Cl)cc(Cl)c1O ZINC000806341691 725125056 /nfs/dbraw/zinc/12/50/56/725125056.db2.gz 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FGCDMN OC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)c(F)c1 ZINC000813792431 726914624 /nfs/dbraw/zinc/91/46/24/726914624.db2.gz PGKUSXKPTMHJKL-INIZCTEOSA-N 0 1 366.230 3.346 20 10 FGCDMN CCOCCCN1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816549016 727174146 /nfs/dbraw/zinc/17/41/46/727174146.db2.gz AGMYOWGENFFYLI-SUMWQHHRSA-N 0 1 358.885 3.411 20 10 FGCDMN O=S1(=O)CCc2cc(C[NH2+]Cc3ccc4ccccc4c3[O-])ccc21 ZINC000816557312 727175666 /nfs/dbraw/zinc/17/56/66/727175666.db2.gz MALNTBNRRQEPKM-UHFFFAOYSA-N 0 1 353.443 3.165 20 10 FGCDMN Cc1cc(Br)cc(CN2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816655943 727186021 /nfs/dbraw/zinc/18/60/21/727186021.db2.gz YSZROXUSNSQNMP-UHFFFAOYSA-N 0 1 371.275 3.126 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824583766 729349122 /nfs/dbraw/zinc/34/91/22/729349122.db2.gz QHLGVGZWKMPSGE-ZBFHGGJFSA-N 0 1 360.420 3.299 20 10 FGCDMN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000824608695 729350285 /nfs/dbraw/zinc/35/02/85/729350285.db2.gz MUUFFCGCNXEAKH-UHFFFAOYSA-N 0 1 363.845 3.256 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824615165 729350838 /nfs/dbraw/zinc/35/08/38/729350838.db2.gz BPGHNDGOKGCYMB-CYBMUJFWSA-N 0 1 371.275 3.126 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824695646 729355583 /nfs/dbraw/zinc/35/55/83/729355583.db2.gz AFQVZRWRVUYDCP-SQWLQELKSA-N 0 1 354.834 3.469 20 10 FGCDMN Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824906998 729364589 /nfs/dbraw/zinc/36/45/89/729364589.db2.gz ULHDFQGBBOUCNN-CQSZACIVSA-N 0 1 350.260 3.398 20 10 FGCDMN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824906998 729364591 /nfs/dbraw/zinc/36/45/91/729364591.db2.gz ULHDFQGBBOUCNN-CQSZACIVSA-N 0 1 350.260 3.398 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000825391333 729381542 /nfs/dbraw/zinc/38/15/42/729381542.db2.gz SYZVUFGFZLWICA-INIZCTEOSA-N 0 1 358.869 3.492 20 10 FGCDMN COC(=O)c1nc(CNC/C=C\c2ccc(N(C)C)cc2)ccc1Cl ZINC000826977170 729420605 /nfs/dbraw/zinc/42/06/05/729420605.db2.gz FKKITKYIZFWZBC-PLNGDYQASA-N 0 1 359.857 3.391 20 10 FGCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C[C@@H]1C ZINC000827545167 729431558 /nfs/dbraw/zinc/43/15/58/729431558.db2.gz VEWFHSCQKXISHJ-WCQYABFASA-N 0 1 356.260 3.094 20 10 FGCDMN Cc1cc(CN2CCCC[C@H](S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829290498 729472074 /nfs/dbraw/zinc/47/20/74/729472074.db2.gz BAYAHURJBLSUBA-IBGZPJMESA-N 0 1 364.555 3.384 20 10 FGCDMN CC(C)c1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)n[nH]1 ZINC000834871984 729840454 /nfs/dbraw/zinc/84/04/54/729840454.db2.gz OUHFKTTURHNJNZ-CYBMUJFWSA-N 0 1 363.893 3.269 20 10 FGCDMN CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C(C)C ZINC000834880117 729842007 /nfs/dbraw/zinc/84/20/07/729842007.db2.gz JWJCOOKJEPHUDG-ABAIWWIYSA-N 0 1 357.292 3.308 20 10 FGCDMN COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841757847 730271333 /nfs/dbraw/zinc/27/13/33/730271333.db2.gz GDBHFRFZLIXNFF-BBATYDOGSA-N 0 1 351.830 3.447 20 10 FGCDMN CCN(CC)c1ccc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)cc1F ZINC000843040937 730572742 /nfs/dbraw/zinc/57/27/42/730572742.db2.gz MHUWASRAVZNLGU-UHFFFAOYSA-N 0 1 352.450 3.128 20 10 FGCDMN CC[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000848563585 731182318 /nfs/dbraw/zinc/18/23/18/731182318.db2.gz VJXDBGGNGGARMG-WCQYABFASA-N 0 1 354.376 3.138 20 10 FGCDMN COCc1csc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000849173244 731233708 /nfs/dbraw/zinc/23/37/08/731233708.db2.gz DSCFGAXHCLWYED-RIYZIHGNSA-N 0 1 368.549 3.190 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000850484042 731361759 /nfs/dbraw/zinc/36/17/59/731361759.db2.gz BFISUVLRSUONLB-HZUKXOBISA-N 0 1 358.276 3.247 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(Br)cc1[O-] ZINC000850503816 731365962 /nfs/dbraw/zinc/36/59/62/731365962.db2.gz ZABBKUKKSXRFDB-MNIFOHHSSA-N 0 1 360.317 3.495 20 10 FGCDMN COC(=O)c1nc(CN[C@@H](C)c2cccc(OC)c2O)ccc1Cl ZINC000850516556 731367290 /nfs/dbraw/zinc/36/72/90/731367290.db2.gz WYYOUUXTTJVTAZ-JTQLQIEISA-N 0 1 350.802 3.087 20 10 FGCDMN C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000850556873 731372937 /nfs/dbraw/zinc/37/29/37/731372937.db2.gz KJTKFCYQJSRJTR-DOMZBBRYSA-N 0 1 369.303 3.059 20 10 FGCDMN C[C@@H]1CCc2nc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn2C1 ZINC000857952959 732171662 /nfs/dbraw/zinc/17/16/62/732171662.db2.gz GDDNYIQTBKHHKY-SECBINFHSA-N 0 1 354.237 3.408 20 10 FGCDMN COCCOc1ccccc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858105866 732181157 /nfs/dbraw/zinc/18/11/57/732181157.db2.gz UPRFYYAGMGDPDU-UHFFFAOYSA-N 0 1 366.255 3.470 20 10 FGCDMN COCCOc1ccccc1CNCc1c(O)cccc1Br ZINC000858105866 732181159 /nfs/dbraw/zinc/18/11/59/732181159.db2.gz UPRFYYAGMGDPDU-UHFFFAOYSA-N 0 1 366.255 3.470 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000858106358 732181223 /nfs/dbraw/zinc/18/12/23/732181223.db2.gz HVRZKKVDGHXQEV-AWEZNQCLSA-N 0 1 350.256 3.096 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000858527210 732223896 /nfs/dbraw/zinc/22/38/96/732223896.db2.gz PGXJPSBJFORTRM-JSGCOSHPSA-N 0 1 370.877 3.332 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@]1(C2CCCC2)CCNC1=O ZINC000861729143 732724524 /nfs/dbraw/zinc/72/45/24/732724524.db2.gz TURPYLKMEJAYJF-QGZVFWFLSA-N 0 1 371.264 3.012 20 10 FGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862403266 732825833 /nfs/dbraw/zinc/82/58/33/732825833.db2.gz OLCKLAOBXXIDRF-LRDDRELGSA-N 0 1 370.877 3.160 20 10 FGCDMN CN1CCN(c2ccc(CN[C@@H](c3nccs3)C(F)(F)F)cc2)CC1 ZINC000862432350 732834718 /nfs/dbraw/zinc/83/47/18/732834718.db2.gz ZUNCCZACLMTRGW-HNNXBMFYSA-N 0 1 370.444 3.288 20 10 FGCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000872358338 735619439 /nfs/dbraw/zinc/61/94/39/735619439.db2.gz AOTSZLXVCKSLHG-UHFFFAOYSA-N 0 1 363.483 3.237 20 10 FGCDMN COc1cc(NCc2cc(F)cc(F)c2[O-])ccc1OCC[NH+](C)C ZINC000883146870 737529525 /nfs/dbraw/zinc/52/95/25/737529525.db2.gz BZQLJUSMKPIABE-UHFFFAOYSA-N 0 1 352.381 3.232 20 10 FGCDMN Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759429 739827837 /nfs/dbraw/zinc/82/78/37/739827837.db2.gz BJWFSICWCDMNDC-UHFFFAOYSA-N 0 1 359.857 3.282 20 10 FGCDMN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Br)cc(F)c3O)[C@H]2C1 ZINC000894095347 742238860 /nfs/dbraw/zinc/23/88/60/742238860.db2.gz PQJKMLWAOPKJOG-VHDGCEQUSA-N 0 1 374.250 3.062 20 10 FGCDMN COc1c([O-])c(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895788506 742454231 /nfs/dbraw/zinc/45/42/31/742454231.db2.gz XMMKUMZJWHVIFW-NHYWBVRUSA-N 0 1 360.332 3.473 20 10 FGCDMN Cc1cc(Br)cc(CNCc2nc(CN(C)C)cs2)c1O ZINC000896315787 742531771 /nfs/dbraw/zinc/53/17/71/742531771.db2.gz YSSOOGRLOYQOHG-UHFFFAOYSA-N 0 1 370.316 3.271 20 10 FGCDMN CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Cl)ccc1[O-] ZINC000903372307 743842372 /nfs/dbraw/zinc/84/23/72/743842372.db2.gz JDHMECTWKBKCBV-HNNXBMFYSA-N 0 1 355.862 3.135 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(Cl)cc1[O-] ZINC000903424214 743848618 /nfs/dbraw/zinc/84/86/18/743848618.db2.gz ONJYJRDJBWAUAQ-GFCCVEGCSA-N 0 1 368.886 3.292 20 10 FGCDMN Cc1nonc1[C@@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160266 759456725 /nfs/dbraw/zinc/45/67/25/759456725.db2.gz KXIFCLDIXXJUEV-YPMHNXCESA-N 0 1 352.385 3.299 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccon2)C1 ZINC000577343181 505708714 /nfs/dbraw/zinc/70/87/14/505708714.db2.gz NGUFSGFFBALIKJ-OAHLLOKOSA-N 0 1 366.465 3.273 20 10 FGCDMN COc1cccc(CN2CCCN(C(=O)c3ccccc3Cl)CC2)c1O ZINC000092452832 494629903 /nfs/dbraw/zinc/62/99/03/494629903.db2.gz UKPNSDCUXLAMFS-UHFFFAOYSA-N 0 1 374.868 3.402 20 10 FGCDMN Cc1noc(C2CCN(Cc3cc(Br)ccc3O)CC2)n1 ZINC000091833518 494696275 /nfs/dbraw/zinc/69/62/75/494696275.db2.gz MDZBUTTUDNJOCI-UHFFFAOYSA-N 0 1 352.232 3.226 20 10 FGCDMN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc4ccccc4c3[O-])C2=O)n(C)n1 ZINC000186083304 495848747 /nfs/dbraw/zinc/84/87/47/495848747.db2.gz YQEMTAYZULVGJS-KDOFPFPSSA-N 0 1 364.449 3.043 20 10 FGCDMN COc1ccc(O)c(CN2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000180305239 495944674 /nfs/dbraw/zinc/94/46/74/495944674.db2.gz XYKGWSPLBRDWGC-GOSISDBHSA-N 0 1 370.449 3.321 20 10 FGCDMN C[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000186435156 495997712 /nfs/dbraw/zinc/99/77/12/495997712.db2.gz LYZYRAXVTXTAIC-OAHLLOKOSA-N 0 1 351.454 3.301 20 10 FGCDMN COC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc(F)c(F)c1 ZINC000181447523 496400117 /nfs/dbraw/zinc/40/01/17/496400117.db2.gz BTVJKRPDEJRZQL-QGZVFWFLSA-N 0 1 353.340 3.489 20 10 FGCDMN COc1ccc(N[C@H](C)c2ccc(F)c(F)c2O)cc1NS(C)(=O)=O ZINC000187886841 496608396 /nfs/dbraw/zinc/60/83/96/496608396.db2.gz XYHYJCSFQSTZEA-SECBINFHSA-N 0 1 372.393 3.224 20 10 FGCDMN Cc1cc(C[C@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000158210367 496651040 /nfs/dbraw/zinc/65/10/40/496651040.db2.gz RBAQDBAFADOSOD-INIZCTEOSA-N 0 1 369.513 3.481 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000185263124 496720455 /nfs/dbraw/zinc/72/04/55/496720455.db2.gz MRSJTGMMXXBMDV-GFCCVEGCSA-N 0 1 353.871 3.441 20 10 FGCDMN CCN(C)[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000574892085 505877007 /nfs/dbraw/zinc/87/70/07/505877007.db2.gz FFDASHIOVXWJJY-HXUWFJFHSA-N 0 1 353.466 3.171 20 10 FGCDMN CCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n[nH]1 ZINC000270616510 497162424 /nfs/dbraw/zinc/16/24/24/497162424.db2.gz HBMWKJPDUPBALE-OAHLLOKOSA-N 0 1 370.501 3.164 20 10 FGCDMN COc1ccccc1[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCCCC1 ZINC000237257810 497210753 /nfs/dbraw/zinc/21/07/53/497210753.db2.gz AMWCUZIHBDOJAS-FQEVSTJZSA-N 0 1 367.493 3.163 20 10 FGCDMN Nc1ccc(CC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000237897702 497310234 /nfs/dbraw/zinc/31/02/34/497310234.db2.gz ZZNBJBZCWAHZSX-UHFFFAOYSA-N 0 1 357.885 3.246 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cc(Br)ccc1[O-] ZINC000280890546 497937623 /nfs/dbraw/zinc/93/76/23/497937623.db2.gz FBERNFBKVFUGGT-CZUORRHYSA-N 0 1 369.303 3.454 20 10 FGCDMN Cc1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)ncn1 ZINC000581348450 505967466 /nfs/dbraw/zinc/96/74/66/505967466.db2.gz UCSPMCQUUGDRAA-UHFFFAOYSA-N 0 1 363.465 3.145 20 10 FGCDMN OC[C@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000289591240 498208007 /nfs/dbraw/zinc/20/80/07/498208007.db2.gz KJZVQRLGQQMHCP-PWSUYJOCSA-N 0 1 368.193 3.147 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000293627623 498434019 /nfs/dbraw/zinc/43/40/19/498434019.db2.gz LCYNUXJHGJSNBC-INIZCTEOSA-N 0 1 352.818 3.345 20 10 FGCDMN Cc1nc([C@H]2CCCN(Cc3cc(Br)ccc3O)C2)no1 ZINC000362385589 498506925 /nfs/dbraw/zinc/50/69/25/498506925.db2.gz CDVQKSKDAHCAJY-NSHDSACASA-N 0 1 352.232 3.226 20 10 FGCDMN COCc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 ZINC000297627975 498516996 /nfs/dbraw/zinc/51/69/96/498516996.db2.gz LUFOFZYOCAHELM-CYBMUJFWSA-N 0 1 367.396 3.181 20 10 FGCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)ccc1[N+](=O)[O-] ZINC000365793349 498642700 /nfs/dbraw/zinc/64/27/00/498642700.db2.gz GEWICWVSSYURPW-HNNXBMFYSA-N 0 1 368.393 3.106 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)ccc1[N+](=O)[O-] ZINC000365793349 498642705 /nfs/dbraw/zinc/64/27/05/498642705.db2.gz GEWICWVSSYURPW-HNNXBMFYSA-N 0 1 368.393 3.106 20 10 FGCDMN CC(C)c1nc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000298217804 498697749 /nfs/dbraw/zinc/69/77/49/498697749.db2.gz VIPYJWPVJCPYJN-UHFFFAOYSA-N 0 1 370.501 3.260 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1[O-] ZINC000282976889 498732753 /nfs/dbraw/zinc/73/27/53/498732753.db2.gz DNJJIWOWEIQCFH-HZMBPMFUSA-N 0 1 353.260 3.007 20 10 FGCDMN CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cccc(Cl)c1[O-] ZINC000287708833 498843479 /nfs/dbraw/zinc/84/34/79/498843479.db2.gz NZZVDXARBSPUKT-GOSISDBHSA-N 0 1 374.916 3.433 20 10 FGCDMN Cn1cc([C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)CC23CCOCC3)cn1 ZINC000295085860 498904360 /nfs/dbraw/zinc/90/43/60/498904360.db2.gz SQJVTNYRUGJLAA-INIZCTEOSA-N 0 1 361.873 3.175 20 10 FGCDMN Cn1cc([C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)CC23CCOCC3)cn1 ZINC000295085860 498904369 /nfs/dbraw/zinc/90/43/69/498904369.db2.gz SQJVTNYRUGJLAA-INIZCTEOSA-N 0 1 361.873 3.175 20 10 FGCDMN CCc1nc(CN2CCC[C@@H]([N@@H+](C)[C@H](C)c3cc(OC)ccc3O)C2)no1 ZINC000368030323 499257356 /nfs/dbraw/zinc/25/73/56/499257356.db2.gz MYBOKLKAWSBSDR-HUUCEWRRSA-N 0 1 374.485 3.004 20 10 FGCDMN COc1cc(O)c(CN2Cc3ccccc3[C@H](n3cccn3)C2)cc1OC ZINC000371357960 499315020 /nfs/dbraw/zinc/31/50/20/499315020.db2.gz UKKOORPVHKMHMW-GOSISDBHSA-N 0 1 365.433 3.211 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCSC2)C1 ZINC000436045792 501063250 /nfs/dbraw/zinc/06/32/50/501063250.db2.gz PVQCCKVOKXXUDF-INIZCTEOSA-N 0 1 371.550 3.372 20 10 FGCDMN CCN(C[C@@H](C)OC)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000462863182 502604178 /nfs/dbraw/zinc/60/41/78/502604178.db2.gz ROPCJCWHIOPUCG-QGZVFWFLSA-N 0 1 371.525 3.291 20 10 FGCDMN CC[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(C)Cc1ccccc1 ZINC000559276099 504817358 /nfs/dbraw/zinc/81/73/58/504817358.db2.gz NSMCNBKBPQZXGS-LJQANCHMSA-N 0 1 367.493 3.389 20 10 FGCDMN O=C([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000740076454 600314354 /nfs/dbraw/zinc/31/43/54/600314354.db2.gz YVQOZMUKRSDMAU-QGZVFWFLSA-N 0 1 359.397 3.411 20 10 FGCDMN Cc1nccn1C[C@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833010055 601399560 /nfs/dbraw/zinc/39/95/60/601399560.db2.gz BGXGCSMJHRBOBK-MRXNPFEDSA-N 0 1 365.433 3.413 20 10 FGCDMN C[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@@H]1C(=O)[O-] ZINC000828457101 601813905 /nfs/dbraw/zinc/81/39/05/601813905.db2.gz RHEWIBJGLCZQKU-HZMBPMFUSA-N 0 1 364.239 3.460 20 10 FGCDMN O=C([O-])C[N@@H+](Cc1cccc2nsnc21)Cc1cc(Cl)ccc1O ZINC000833249561 604474104 /nfs/dbraw/zinc/47/41/04/604474104.db2.gz YEHLNRIILASWNK-UHFFFAOYSA-N 0 1 363.826 3.137 20 10 FGCDMN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)[O-])C[C@H]2C)c1O ZINC000833897388 605996265 /nfs/dbraw/zinc/99/62/65/605996265.db2.gz JRIASVAXYZPQOK-ZWNOBZJWSA-N 0 1 357.248 3.084 20 10 FGCDMN CC(C)NC(=O)CN(C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000008184026 695581272 /nfs/dbraw/zinc/58/12/72/695581272.db2.gz GMZXTIYRTAZFNX-UHFFFAOYSA-N 0 1 365.271 3.264 20 10 FGCDMN CCc1nn(C)c(Cl)c1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000092380629 700435448 /nfs/dbraw/zinc/43/54/48/700435448.db2.gz YOGFNHAYSYFNON-UHFFFAOYSA-N 0 1 362.905 3.357 20 10 FGCDMN COc1ccc(OC)c(CN(CCO)Cc2cc(Cl)ccc2O)c1 ZINC000093361497 700450658 /nfs/dbraw/zinc/45/06/58/700450658.db2.gz RLDKTNSXIRCORB-UHFFFAOYSA-N 0 1 351.830 3.057 20 10 FGCDMN C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000130305108 700799191 /nfs/dbraw/zinc/79/91/91/700799191.db2.gz NJLMMGRSDJTQPC-WFASDCNBSA-N 0 1 350.256 3.409 20 10 FGCDMN CCCCN(Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160790800 705261551 /nfs/dbraw/zinc/26/15/51/705261551.db2.gz RRCQPNUHIPEFNB-IBGZPJMESA-N 0 1 352.544 3.322 20 10 FGCDMN CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000161097374 705268759 /nfs/dbraw/zinc/26/87/59/705268759.db2.gz ZVJPIEBUBXFBRO-GFCCVEGCSA-N 0 1 352.283 3.098 20 10 FGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000171409030 705383849 /nfs/dbraw/zinc/38/38/49/705383849.db2.gz DQZWVLNUGJIEML-SWLSCSKDSA-N 0 1 363.483 3.125 20 10 FGCDMN O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CN1c1c(F)cccc1F ZINC000180221439 705732385 /nfs/dbraw/zinc/73/23/85/705732385.db2.gz ACNOYOLEWYILMF-LBPRGKRZSA-N 0 1 352.768 3.219 20 10 FGCDMN Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(N)(=O)=O ZINC000386202236 713984546 /nfs/dbraw/zinc/98/45/46/713984546.db2.gz KHHCBYYUMLUPBC-UHFFFAOYSA-N 0 1 361.250 3.267 20 10 FGCDMN COC(=O)[C@@H](NCc1cc(Cl)cc(F)c1O)c1cc(F)ccc1F ZINC000779177321 724398041 /nfs/dbraw/zinc/39/80/41/724398041.db2.gz BMPKESHWJHDACN-AWEZNQCLSA-N 0 1 359.731 3.467 20 10 FGCDMN COc1ccc(O)c(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000780892645 724512125 /nfs/dbraw/zinc/51/21/25/724512125.db2.gz JTTLVABFPABKER-KBPBESRZSA-N 0 1 350.459 3.231 20 10 FGCDMN O=C(NCc1cc(Br)ccc1O)c1cc(F)cc2nc[nH]c21 ZINC000804738956 724547985 /nfs/dbraw/zinc/54/79/85/724547985.db2.gz KLOWJIOZJSGZBZ-UHFFFAOYSA-N 0 1 364.174 3.100 20 10 FGCDMN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075936 722412729 /nfs/dbraw/zinc/41/27/29/722412729.db2.gz QQGKWPHKGIXASF-DCXZOGHSSA-N 0 1 354.697 3.007 20 10 FGCDMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075937 722412605 /nfs/dbraw/zinc/41/26/05/722412605.db2.gz QQGKWPHKGIXASF-NTCNTBNZSA-N 0 1 354.697 3.007 20 10 FGCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1csc(-c2ccsc2)n1 ZINC000728697890 722453882 /nfs/dbraw/zinc/45/38/82/722453882.db2.gz ZBYSBCXFNGFVEW-RIYZIHGNSA-N 0 1 353.428 3.333 20 10 FGCDMN CN(C)c1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000733325686 722495685 /nfs/dbraw/zinc/49/56/85/722495685.db2.gz PYZNVKIKMHBLTA-UHFFFAOYSA-N 0 1 370.877 3.109 20 10 FGCDMN Cc1ccc2c(=O)c(C(=O)NCCCSc3nccs3)c[n-]c2[nH+]1 ZINC000734359095 722506447 /nfs/dbraw/zinc/50/64/47/722506447.db2.gz WLCNVUIUUBAFEL-UHFFFAOYSA-N 0 1 360.464 3.013 20 10 FGCDMN 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CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834856514 729839158 /nfs/dbraw/zinc/83/91/58/729839158.db2.gz RQJHTYJOQXBSNP-INIZCTEOSA-N 0 1 357.878 3.299 20 10 FGCDMN CN(C)c1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c(C(F)(F)F)c1 ZINC000835075518 729856698 /nfs/dbraw/zinc/85/66/98/729856698.db2.gz YRZVKUNKPCHTOU-HOCLYGCPSA-N 0 1 355.404 3.014 20 10 FGCDMN CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000835076921 729857020 /nfs/dbraw/zinc/85/70/20/729857020.db2.gz MRSNIWFEFJIWDD-UHFFFAOYSA-N 0 1 352.822 3.346 20 10 FGCDMN C[C@@H](NCCS(=O)(=O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000840881255 730187378 /nfs/dbraw/zinc/18/73/78/730187378.db2.gz HSOULSNYWWXUIP-MRXNPFEDSA-N 0 1 350.528 3.295 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)c(Cl)c1 ZINC000840882431 730187892 /nfs/dbraw/zinc/18/78/92/730187892.db2.gz VRGWZCUKGGLVDL-UHFFFAOYSA-N 0 1 367.898 3.449 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)cc1[O-] ZINC000841753665 730270992 /nfs/dbraw/zinc/27/09/92/730270992.db2.gz MZAISEXLOGLINT-CXAGYDPISA-N 0 1 359.857 3.282 20 10 FGCDMN CCOC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000843891496 730664018 /nfs/dbraw/zinc/66/40/18/730664018.db2.gz ZHDPGMRPAQIZPV-UHFFFAOYSA-N 0 1 360.237 3.439 20 10 FGCDMN CC(=O)c1cc(Cl)cc(CN(CC[NH+](C)C)Cc2ccccn2)c1[O-] ZINC000846944282 730997799 /nfs/dbraw/zinc/99/77/99/730997799.db2.gz URGHSOWOAFOZDW-UHFFFAOYSA-N 0 1 361.873 3.207 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930255 731222331 /nfs/dbraw/zinc/22/23/31/731222331.db2.gz PMXFQOKNVYXVBD-OAHLLOKOSA-N 0 1 359.297 3.386 20 10 FGCDMN C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000850519158 731368254 /nfs/dbraw/zinc/36/82/54/731368254.db2.gz LFKFAZWZTGMPHA-LLVKDONJSA-N 0 1 361.385 3.173 20 10 FGCDMN COc1cc(Br)cc([C@@H](C)N[C@H](C)c2nccn2C)c1O ZINC000850572315 731374729 /nfs/dbraw/zinc/37/47/29/731374729.db2.gz JYQMFUBFRAQNHV-NXEZZACHSA-N 0 1 354.248 3.309 20 10 FGCDMN CC(C)CC(=O)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858118342 732182209 /nfs/dbraw/zinc/18/22/09/732182209.db2.gz XJAIDGBDRBXQLJ-UHFFFAOYSA-N 0 1 369.303 3.281 20 10 FGCDMN C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC000858138747 732185014 /nfs/dbraw/zinc/18/50/14/732185014.db2.gz JTKPLSJYCJDDNQ-BLLLJJGKSA-N 0 1 350.256 3.409 20 10 FGCDMN Oc1cccc(Br)c1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000862242000 732796174 /nfs/dbraw/zinc/79/61/74/732796174.db2.gz RSKFDNQHYRJZJA-CMPLNLGQSA-N 0 1 354.166 3.042 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348910 732812507 /nfs/dbraw/zinc/81/25/07/732812507.db2.gz YMNNOJIUOHFBOW-TVQRCGJNSA-N 0 1 368.193 3.290 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348910 732812513 /nfs/dbraw/zinc/81/25/13/732812513.db2.gz YMNNOJIUOHFBOW-TVQRCGJNSA-N 0 1 368.193 3.290 20 10 FGCDMN Oc1cccc(Br)c1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348910 732812515 /nfs/dbraw/zinc/81/25/15/732812515.db2.gz YMNNOJIUOHFBOW-TVQRCGJNSA-N 0 1 368.193 3.290 20 10 FGCDMN C[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000862353322 732814067 /nfs/dbraw/zinc/81/40/67/732814067.db2.gz KNVZJZIELZMHFK-XNJGSVPQSA-N 0 1 370.287 3.313 20 10 FGCDMN CN(C)c1cc(F)c(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000862382946 732820624 /nfs/dbraw/zinc/82/06/24/732820624.db2.gz FBIYHMIZGZYAKA-ZDUSSCGKSA-N 0 1 353.457 3.144 20 10 FGCDMN Fc1cc(CNCc2ccc(C(F)F)nc2)ccc1N1CCOCC1 ZINC000865418044 733195504 /nfs/dbraw/zinc/19/55/04/733195504.db2.gz HLCJKRYIYNMBHS-UHFFFAOYSA-N 0 1 351.372 3.285 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000869210881 733703523 /nfs/dbraw/zinc/70/35/23/733703523.db2.gz XIXUGGOFPDFITI-GXTWGEPZSA-N 0 1 359.253 3.313 20 10 FGCDMN CN(C)c1ccc(CNC(=O)[C@@H](N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000876714318 736135700 /nfs/dbraw/zinc/13/57/00/736135700.db2.gz ZLIMZLFEMAQVAV-INIZCTEOSA-N 0 1 351.372 3.088 20 10 FGCDMN C[C@H](NCc1ncc(I)s1)c1ccccc1O ZINC000877758153 736715109 /nfs/dbraw/zinc/71/51/09/736715109.db2.gz KWXZIHMODFYVSA-QMMMGPOBSA-N 0 1 360.220 3.304 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000894888465 742347995 /nfs/dbraw/zinc/34/79/95/742347995.db2.gz FYHLFABRZMOOJT-LBPRGKRZSA-N 0 1 356.594 3.010 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000894888465 742348000 /nfs/dbraw/zinc/34/80/00/742348000.db2.gz FYHLFABRZMOOJT-LBPRGKRZSA-N 0 1 356.594 3.010 20 10 FGCDMN Oc1c(F)cc(Br)cc1CN1CCc2nc[nH]c2C12CCC2 ZINC000895069269 742370686 /nfs/dbraw/zinc/37/06/86/742370686.db2.gz UOMLRDJOTAIWQZ-UHFFFAOYSA-N 0 1 366.234 3.454 20 10 FGCDMN CSCc1cnc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449634 742795462 /nfs/dbraw/zinc/79/54/62/742795462.db2.gz INTSHEVZVASRKV-KRWDZBQOSA-N 0 1 364.584 3.465 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Br)ccc1[O-] ZINC000903390664 743843763 /nfs/dbraw/zinc/84/37/63/743843763.db2.gz SPAYQUPUIATUDT-XHDPSFHLSA-N 0 1 356.260 3.143 20 10 FGCDMN CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000927156773 759909410 /nfs/dbraw/zinc/90/94/10/759909410.db2.gz QIJAXAJFMJUYTP-CWRNSKLLSA-N 0 1 359.388 3.382 20 10 FGCDMN CCOC(=O)C1(C(F)(F)F)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000932656011 761210622 /nfs/dbraw/zinc/21/06/22/761210622.db2.gz NCSOOMNXPWVXKM-UHFFFAOYSA-N 0 1 358.404 3.460 20 10 FGCDMN Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386970 494388354 /nfs/dbraw/zinc/38/83/54/494388354.db2.gz NXPVPKBPBLBZOZ-SFHVURJKSA-N 0 1 367.493 3.291 20 10 FGCDMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092707608 494721285 /nfs/dbraw/zinc/72/12/85/494721285.db2.gz LFLLHSHNQYFGSS-LBPRGKRZSA-N 0 1 369.849 3.082 20 10 FGCDMN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092011280 494753972 /nfs/dbraw/zinc/75/39/72/494753972.db2.gz NNHDSWIZOQAQBG-BZNIZROVSA-N 0 1 370.280 3.378 20 10 FGCDMN C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000186027481 495826936 /nfs/dbraw/zinc/82/69/36/495826936.db2.gz CXZFWYJIQYUBGE-SNVBAGLBSA-N 0 1 364.305 3.019 20 10 FGCDMN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc4ccccc4c3[O-])C2=O)n(C)n1 ZINC000186083287 495848609 /nfs/dbraw/zinc/84/86/09/495848609.db2.gz YQEMTAYZULVGJS-KBXCAEBGSA-N 0 1 364.449 3.043 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(Br)ccc1[O-] ZINC000155586735 496004569 /nfs/dbraw/zinc/00/45/69/496004569.db2.gz JPAYDVJSCLCOQI-TZMCWYRMSA-N 0 1 365.275 3.110 20 10 FGCDMN COc1cc(O)c(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC ZINC000187527544 496478591 /nfs/dbraw/zinc/47/85/91/496478591.db2.gz XRWNODSMDSVCDR-FQEVSTJZSA-N 0 1 371.412 3.161 20 10 FGCDMN COc1ccc(N[C@@H](C)c2ccc(F)c(F)c2O)cc1-n1nnnc1C ZINC000187896918 496612015 /nfs/dbraw/zinc/61/20/15/496612015.db2.gz AUQPDQBPIKWDII-VIFPVBQESA-N 0 1 361.352 3.136 20 10 FGCDMN COCc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000268827204 496796843 /nfs/dbraw/zinc/79/68/43/496796843.db2.gz ZHYUXFDQRSHISV-GASCZTMLSA-N 0 1 362.445 3.469 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000273418095 496800549 /nfs/dbraw/zinc/80/05/49/496800549.db2.gz RJXYMENVYLRVTJ-LLVKDONJSA-N 0 1 354.859 3.268 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1O ZINC000248534201 497031814 /nfs/dbraw/zinc/03/18/14/497031814.db2.gz JCBRTZUTCDDTBK-XZJROXQQSA-N 0 1 351.830 3.466 20 10 FGCDMN Cc1cc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(C)n1-c1ccccn1 ZINC000270758353 497196797 /nfs/dbraw/zinc/19/67/97/497196797.db2.gz ODIPRKKQIHQRMF-ZDUSSCGKSA-N 0 1 352.442 3.222 20 10 FGCDMN C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(Br)cn1 ZINC000279906845 497583920 /nfs/dbraw/zinc/58/39/20/497583920.db2.gz WJNONDLRQRGWTO-VIFPVBQESA-N 0 1 351.200 3.129 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3cnccn3)no2)C1 ZINC000349973810 498027599 /nfs/dbraw/zinc/02/75/99/498027599.db2.gz WLNSLYNHYLLYLX-UHFFFAOYSA-N 0 1 374.448 3.296 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1[O-] ZINC000281805024 498276127 /nfs/dbraw/zinc/27/61/27/498276127.db2.gz VORYVBSGBPGZAL-LJQANCHMSA-N 0 1 361.825 3.008 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1[O-] ZINC000282976897 498732555 /nfs/dbraw/zinc/73/25/55/498732555.db2.gz DNJJIWOWEIQCFH-QMTHXVAHSA-N 0 1 353.260 3.007 20 10 FGCDMN COc1ccc(F)cc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000291198612 498839524 /nfs/dbraw/zinc/83/95/24/498839524.db2.gz MSQROBGSDQHSTA-UHFFFAOYSA-N 0 1 362.420 3.224 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000367881713 499241362 /nfs/dbraw/zinc/24/13/62/499241362.db2.gz URVVEJRZBVPLNT-QGZVFWFLSA-N 0 1 367.497 3.099 20 10 FGCDMN CN(C)c1ccc(C2=CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C2)cc1 ZINC000372146369 499403464 /nfs/dbraw/zinc/40/34/64/499403464.db2.gz KVKQAKBRDYYEDO-UHFFFAOYSA-N 0 1 359.433 3.077 20 10 FGCDMN COc1c([O-])c(C[NH2+][C@@H]2CCCc3cnn(C(C)C)c32)ccc1[N+](=O)[O-] ZINC000375716331 499548432 /nfs/dbraw/zinc/54/84/32/499548432.db2.gz AZSSGNDUOURGGI-CQSZACIVSA-N 0 1 360.414 3.254 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000376507685 499613614 /nfs/dbraw/zinc/61/36/14/499613614.db2.gz XLWFJEOVKJPTLD-CYBMUJFWSA-N 0 1 370.287 3.172 20 10 FGCDMN CN1CCN([C@@H]2CCCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377698027 499721446 /nfs/dbraw/zinc/72/14/46/499721446.db2.gz PGFUDXHMCUCYDX-MRXNPFEDSA-N 0 1 372.340 3.301 20 10 FGCDMN CCOCCCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435558535 500992260 /nfs/dbraw/zinc/99/22/60/500992260.db2.gz MWQJUBQKBUPPDY-UHFFFAOYSA-N 0 1 371.525 3.341 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccn(C)c2)C1 ZINC000435825988 501033864 /nfs/dbraw/zinc/03/38/64/501033864.db2.gz KBXZUELZYPEPCS-UHFFFAOYSA-N 0 1 364.493 3.063 20 10 FGCDMN CCOCc1cc(CNC[C@@H](n2cccn2)C(F)(F)F)ccc1OC ZINC000527741606 503923326 /nfs/dbraw/zinc/92/33/26/503923326.db2.gz GCCKKRZHPAVJLD-MRXNPFEDSA-N 0 1 357.376 3.321 20 10 FGCDMN O=C([O-])C[N@H+](CCOc1ccccc1F)Cc1cc(Cl)ccc1O ZINC000739793375 600143412 /nfs/dbraw/zinc/14/34/12/600143412.db2.gz HMXHYDJLOVOEMP-UHFFFAOYSA-N 0 1 353.777 3.150 20 10 FGCDMN O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000833315499 601634593 /nfs/dbraw/zinc/63/45/93/601634593.db2.gz WYTCISSSRHBKKC-MRXNPFEDSA-N 0 1 359.397 3.411 20 10 FGCDMN CCOc1ccc(O)c(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000833662641 604674999 /nfs/dbraw/zinc/67/49/99/604674999.db2.gz JBJCFWXNZUIDBS-KRWDZBQOSA-N 0 1 369.339 3.466 20 10 FGCDMN COc1cc(O)c(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1OC ZINC000833728866 605248793 /nfs/dbraw/zinc/24/87/93/605248793.db2.gz BCVJAZKNCLEXQQ-ZBFHGGJFSA-N 0 1 363.454 3.265 20 10 FGCDMN COc1ccc(CN(CCO)Cc2cc(Cl)ccc2O)c(OC)c1 ZINC000093363738 700450648 /nfs/dbraw/zinc/45/06/48/700450648.db2.gz MRNRMMRPQAYKOD-UHFFFAOYSA-N 0 1 351.830 3.057 20 10 FGCDMN COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093610681 700452572 /nfs/dbraw/zinc/45/25/72/700452572.db2.gz UFMPFSPGPSFQPP-NSHDSACASA-N 0 1 350.267 3.180 20 10 FGCDMN COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093610681 700452573 /nfs/dbraw/zinc/45/25/73/700452573.db2.gz UFMPFSPGPSFQPP-NSHDSACASA-N 0 1 350.267 3.180 20 10 FGCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1 ZINC000125828704 700740478 /nfs/dbraw/zinc/74/04/78/700740478.db2.gz CUYUHUGOADJKLA-UHFFFAOYSA-N 0 1 361.448 3.323 20 10 FGCDMN COc1cc(N2CCN(Cc3sccc3C)CC2)cc(OC)c1OC ZINC000184751852 712675883 /nfs/dbraw/zinc/67/58/83/712675883.db2.gz MHEWSKNFYWLPSS-UHFFFAOYSA-N 0 1 362.495 3.405 20 10 FGCDMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000185232579 712689151 /nfs/dbraw/zinc/68/91/51/712689151.db2.gz OABDYKKHJPKIBK-OAHLLOKOSA-N 0 1 364.486 3.152 20 10 FGCDMN C[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])NC(=O)OC(C)(C)C ZINC000194946118 713540465 /nfs/dbraw/zinc/54/04/65/713540465.db2.gz BWSGWCFQJXQBTD-JTQLQIEISA-N 0 1 359.264 3.158 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[O-] ZINC000245749737 713611296 /nfs/dbraw/zinc/61/12/96/713611296.db2.gz HAPBBFPQEYGCNE-LRDDRELGSA-N 0 1 365.861 3.403 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1[O-] ZINC000245749737 713611317 /nfs/dbraw/zinc/61/13/17/713611317.db2.gz HAPBBFPQEYGCNE-LRDDRELGSA-N 0 1 365.861 3.403 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1[O-] ZINC000245749737 713611321 /nfs/dbraw/zinc/61/13/21/713611321.db2.gz HAPBBFPQEYGCNE-LRDDRELGSA-N 0 1 365.861 3.403 20 10 FGCDMN CCOc1cccc(CN(CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000802652381 724397489 /nfs/dbraw/zinc/39/74/89/724397489.db2.gz FKXRFGZRWUCJMU-UHFFFAOYSA-N 0 1 362.495 3.299 20 10 FGCDMN CN(C)c1ccc(CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1F ZINC000749926082 722748048 /nfs/dbraw/zinc/74/80/48/722748048.db2.gz IBXOGIUJWUQFKC-KRWDZBQOSA-N 0 1 361.848 3.440 20 10 FGCDMN COC(=O)CN(Cc1[nH]nc2ccccc21)Cc1cc(Cl)ccc1O ZINC000769381198 723683789 /nfs/dbraw/zinc/68/37/89/723683789.db2.gz LYEKLXJBENEGEO-UHFFFAOYSA-N 0 1 359.813 3.097 20 10 FGCDMN CSc1ccccc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000780376481 724459584 /nfs/dbraw/zinc/45/95/84/724459584.db2.gz BRVMUDORVHADEL-UHFFFAOYSA-N 0 1 364.492 3.046 20 10 FGCDMN C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000804950099 724568348 /nfs/dbraw/zinc/56/83/48/724568348.db2.gz NXHFESQUALHPKH-LLVKDONJSA-N 0 1 360.285 3.230 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000781907772 724610470 /nfs/dbraw/zinc/61/04/70/724610470.db2.gz IOGDVQIIYKHLKW-KGLIPLIRSA-N 0 1 358.301 3.169 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000781915133 724612158 /nfs/dbraw/zinc/61/21/58/724612158.db2.gz XDDHSSLBNISHBL-GFCCVEGCSA-N 0 1 356.260 3.048 20 10 FGCDMN C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978218 727289923 /nfs/dbraw/zinc/28/99/23/727289923.db2.gz YNXBIRAUQNBSRY-FXQIFTODSA-N 0 1 366.097 3.304 20 10 FGCDMN C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@@](C)(C(F)F)O1 ZINC000705040336 722411665 /nfs/dbraw/zinc/41/16/65/722411665.db2.gz UIITVXNTIXAYAZ-OTYXRUKQSA-N 0 1 350.203 3.399 20 10 FGCDMN CN(CC[NH2+]Cc1c([O-])cccc1Br)C(=O)OC(C)(C)C ZINC000706809509 722412114 /nfs/dbraw/zinc/41/21/14/722412114.db2.gz CPNRYAMAPQCVKU-UHFFFAOYSA-N 0 1 359.264 3.111 20 10 FGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(C)s3)cc2F)CC1 ZINC000730192901 722466001 /nfs/dbraw/zinc/46/60/01/722466001.db2.gz PJGDOBROALYTEI-UHFFFAOYSA-N 0 1 361.486 3.268 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000740006411 722534672 /nfs/dbraw/zinc/53/46/72/722534672.db2.gz MIHOVHFOLYYTLN-QFBILLFUSA-N 0 1 360.885 3.018 20 10 FGCDMN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1Br ZINC000746394773 722600836 /nfs/dbraw/zinc/60/08/36/722600836.db2.gz QKWNFTMMOBXXAP-UVTDQMKNSA-N 0 1 357.207 3.219 20 10 FGCDMN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000756582417 722967216 /nfs/dbraw/zinc/96/72/16/722967216.db2.gz 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[O-]c1ccc(Br)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000784680380 724872265 /nfs/dbraw/zinc/87/22/65/724872265.db2.gz PWNXYDDUXBFREA-INIZCTEOSA-N 0 1 350.256 3.238 20 10 FGCDMN CC1(C)CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449145 725028844 /nfs/dbraw/zinc/02/88/44/725028844.db2.gz JFHSOVVUBALPFF-RDJZCZTQSA-N 0 1 366.889 3.084 20 10 FGCDMN Cc1cccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000805399713 725068929 /nfs/dbraw/zinc/06/89/29/725068929.db2.gz VTAGNDZMWKFUIO-UHFFFAOYSA-N 0 1 354.237 3.444 20 10 FGCDMN COC(=O)C(C)(C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805766759 725093233 /nfs/dbraw/zinc/09/32/33/725093233.db2.gz CITCQAOGJOXYKY-UHFFFAOYSA-N 0 1 363.241 3.088 20 10 FGCDMN NC(=O)c1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000806201587 725120277 /nfs/dbraw/zinc/12/02/77/725120277.db2.gz JFAUWVWDAWYEPU-UHFFFAOYSA-N 0 1 372.183 3.259 20 10 FGCDMN NC(=O)c1ccc(F)c(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806219845 725120728 /nfs/dbraw/zinc/12/07/28/725120728.db2.gz 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CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225419 725298078 /nfs/dbraw/zinc/29/80/78/725298078.db2.gz CYHABFJPCJZQGY-MFKMUULPSA-N 0 1 353.406 3.275 20 10 FGCDMN C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815634134 727087900 /nfs/dbraw/zinc/08/79/00/727087900.db2.gz FAQBYJIMVCERBU-BDAKNGLRSA-N 0 1 367.203 3.265 20 10 FGCDMN COc1cc(Br)cc(CN2CCCO[C@H](C(C)C)C2)c1O ZINC000816676028 727188472 /nfs/dbraw/zinc/18/84/72/727188472.db2.gz QSTLNECXSUTLNS-HNNXBMFYSA-N 0 1 358.276 3.410 20 10 FGCDMN CC[C@@H](N)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978785 727290120 /nfs/dbraw/zinc/29/01/20/727290120.db2.gz DKKZKPSLFDMYSC-VXNVDRBHSA-N 0 1 366.097 3.305 20 10 FGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824636100 729352183 /nfs/dbraw/zinc/35/21/83/729352183.db2.gz LUTZRTJEJIWGCY-CRAIPNDOSA-N 0 1 353.796 3.485 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000825050825 729369067 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O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843428728 730619926 /nfs/dbraw/zinc/61/99/26/730619926.db2.gz MMKCSLYQBUNVQA-CQSZACIVSA-N 0 1 362.832 3.323 20 10 FGCDMN Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846057818 730924351 /nfs/dbraw/zinc/92/43/51/730924351.db2.gz JWASSWWEOGTAQQ-UHFFFAOYSA-N 0 1 365.861 3.100 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000847572607 731066411 /nfs/dbraw/zinc/06/64/11/731066411.db2.gz MOOYCBKPZLYNIT-NSHDSACASA-N 0 1 366.259 3.105 20 10 FGCDMN Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000850384969 731350776 /nfs/dbraw/zinc/35/07/76/731350776.db2.gz VSUQINUJAWWUDF-BBRMVZONSA-N 0 1 364.287 3.389 20 10 FGCDMN COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C1CCOCC1 ZINC000850493045 731363687 /nfs/dbraw/zinc/36/36/87/731363687.db2.gz DTZSSEFQLIYPBY-ABAIWWIYSA-N 0 1 358.276 3.247 20 10 FGCDMN CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000850519623 731368605 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C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000862526728 732843405 /nfs/dbraw/zinc/84/34/05/732843405.db2.gz ZCSPUBPXCVXXTQ-UHFFFAOYSA-N 0 1 358.866 3.019 20 10 FGCDMN C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000862526728 732843409 /nfs/dbraw/zinc/84/34/09/732843409.db2.gz ZCSPUBPXCVXXTQ-UHFFFAOYSA-N 0 1 358.866 3.019 20 10 FGCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[O-] ZINC000863551465 732976034 /nfs/dbraw/zinc/97/60/34/732976034.db2.gz FLCQUCZIPGQRHQ-FZMZJTMJSA-N 0 1 364.795 3.207 20 10 FGCDMN C[C@H]1C[C@@H](NCc2c(Br)cnn2C)c2c1c(F)ccc2O ZINC000866431571 733348615 /nfs/dbraw/zinc/34/86/15/733348615.db2.gz XBKFCVCJOLHQQH-GZMMTYOYSA-N 0 1 354.223 3.365 20 10 FGCDMN C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000886801075 739302846 /nfs/dbraw/zinc/30/28/46/739302846.db2.gz HODLSSIEINJPMD-LDWIPMOCSA-N 0 1 360.145 3.258 20 10 FGCDMN COCC[S@](=O)Cc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876862401 736155042 /nfs/dbraw/zinc/15/50/42/736155042.db2.gz 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10 FGCDMN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841745918 730270200 /nfs/dbraw/zinc/27/02/00/730270200.db2.gz BUWYDUALWWGZCM-JQWIXIFHSA-N 0 1 357.784 3.414 20 10 FGCDMN CC(=O)c1cc(Cl)cc(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1[O-] ZINC000842476815 730506990 /nfs/dbraw/zinc/50/69/90/730506990.db2.gz HPGFTJANRGUASN-FUHWJXTLSA-N 0 1 362.832 3.314 20 10 FGCDMN C[N@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccccc1 ZINC000845082259 730808511 /nfs/dbraw/zinc/80/85/11/730808511.db2.gz VZRSBDNHCNTRAL-FUHWJXTLSA-N 0 1 359.857 3.290 20 10 FGCDMN C[C@@H](CCO)[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000846111297 730929743 /nfs/dbraw/zinc/92/97/43/730929743.db2.gz NZMSKYDHQCXVLS-QMMMGPOBSA-N 0 1 367.081 3.120 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(Br)ccc1[O-] ZINC000850503638 731365990 /nfs/dbraw/zinc/36/59/90/731365990.db2.gz YGJIDLSYZUBSQU-IUNRRVLSSA-N 0 1 360.317 3.495 20 10 FGCDMN C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(Cl)ccc1[O-] ZINC000850558193 731372768 /nfs/dbraw/zinc/37/27/68/731372768.db2.gz VEKHRDUNKJSQSI-MORSLUCNSA-N 0 1 350.890 3.340 20 10 FGCDMN COC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC2(CCC2)C1 ZINC000854474458 731832187 /nfs/dbraw/zinc/83/21/87/731832187.db2.gz LKKGJJSHUOXPNT-UHFFFAOYSA-N 0 1 372.248 3.439 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000858095482 732180025 /nfs/dbraw/zinc/18/00/25/732180025.db2.gz ORVAFRYIBRENLB-UHFFFAOYSA-N 0 1 362.271 3.440 20 10 FGCDMN COc1ccc(CNCc2c(O)cccc2Br)c(OC)c1 ZINC000858100835 732180528 /nfs/dbraw/zinc/18/05/28/732180528.db2.gz OPUZHKQBSPCKRD-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Br)c(OC)c1 ZINC000858100835 732180530 /nfs/dbraw/zinc/18/05/30/732180530.db2.gz OPUZHKQBSPCKRD-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)N1CCCC[C@H]1C ZINC000858121802 732182439 /nfs/dbraw/zinc/18/24/39/732182439.db2.gz AHGYNIMFEKAMTE-NEPJUHHUSA-N 0 1 355.276 3.034 20 10 FGCDMN C[C@H](NCc1c(O)cccc1Br)C(=O)N1CCCC[C@H]1C ZINC000858121802 732182441 /nfs/dbraw/zinc/18/24/41/732182441.db2.gz AHGYNIMFEKAMTE-NEPJUHHUSA-N 0 1 355.276 3.034 20 10 FGCDMN Oc1cccc(Br)c1CNCc1cccc2c1OCCO2 ZINC000858136426 732184348 /nfs/dbraw/zinc/18/43/48/732184348.db2.gz SCDABAXQJDOZPU-UHFFFAOYSA-N 0 1 350.212 3.216 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000858177675 732189344 /nfs/dbraw/zinc/18/93/44/732189344.db2.gz GGHIJVXPSBYHQY-LBPRGKRZSA-N 0 1 354.219 3.160 20 10 FGCDMN CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000858508216 732221741 /nfs/dbraw/zinc/22/17/41/732221741.db2.gz MGVMVYWRIWPDGB-GXFFZTMASA-N 0 1 354.244 3.457 20 10 FGCDMN CCO[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241901 732480219 /nfs/dbraw/zinc/48/02/19/732480219.db2.gz MZTJELHLFTZIDH-SJLPKXTDSA-N 0 1 368.905 3.187 20 10 FGCDMN CCCC(=O)NC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862228621 732790686 /nfs/dbraw/zinc/79/06/86/732790686.db2.gz TXMQVJAADUBNLE-UHFFFAOYSA-N 0 1 355.276 3.035 20 10 FGCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1c1ccc(O)cc1 ZINC000862497670 732841895 /nfs/dbraw/zinc/84/18/95/732841895.db2.gz ZRAHMUDRLFJAAO-JKSUJKDBSA-N 0 1 361.825 3.140 20 10 FGCDMN COc1ccc(N2CC[C@H](NCc3ccncc3Br)C2)cc1 ZINC000865622302 733239911 /nfs/dbraw/zinc/23/99/11/733239911.db2.gz RZCOGTKNHQRFQS-AWEZNQCLSA-N 0 1 362.271 3.221 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cc(Cl)ccc1[O-] ZINC000866577411 733369257 /nfs/dbraw/zinc/36/92/57/733369257.db2.gz OJKMPXFTIKGCPV-CYBMUJFWSA-N 0 1 359.857 3.422 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccc(Cl)cc1[O-] ZINC000866576968 733369340 /nfs/dbraw/zinc/36/93/40/733369340.db2.gz LITTWUJUMFXVTC-CYBMUJFWSA-N 0 1 359.857 3.422 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)c1[O-] ZINC000877645548 736699259 /nfs/dbraw/zinc/69/92/59/736699259.db2.gz OOZGGDQPOKTRHE-OAHLLOKOSA-N 0 1 363.801 3.140 20 10 FGCDMN COC(=O)c1coc(CNCc2cc(Br)cc(C)c2O)c1 ZINC000877699467 736707879 /nfs/dbraw/zinc/70/78/79/736707879.db2.gz LSWJMPJRMBSCTK-UHFFFAOYSA-N 0 1 354.200 3.133 20 10 FGCDMN C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(Br)cc1[O-] ZINC000883276131 737544570 /nfs/dbraw/zinc/54/45/70/737544570.db2.gz GMKVJEZBUKFICP-WCQYABFASA-N 0 1 354.244 3.250 20 10 FGCDMN [O-]c1c(F)cc(Br)cc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000883305531 737550594 /nfs/dbraw/zinc/55/05/94/737550594.db2.gz ZIGDOWGDKVLKLU-UHFFFAOYSA-N 0 1 352.207 3.253 20 10 FGCDMN Oc1c(F)cc(Br)cc1CNC1(c2ncccn2)CCC1 ZINC000883305531 737550595 /nfs/dbraw/zinc/55/05/95/737550595.db2.gz ZIGDOWGDKVLKLU-UHFFFAOYSA-N 0 1 352.207 3.253 20 10 FGCDMN CCO/C=C/[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000895714576 742445908 /nfs/dbraw/zinc/44/59/08/742445908.db2.gz VFKYHARFYUHWIY-FVNWOWOISA-N 0 1 355.356 3.479 20 10 FGCDMN C[C@]1([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)COC(=O)N1 ZINC000896396345 742545276 /nfs/dbraw/zinc/54/52/76/742545276.db2.gz OVMXAZDMXBFCJB-BDJLRTHQSA-N 0 1 359.253 3.410 20 10 FGCDMN CCOC(=O)C1(C(F)(F)F)CCN(Cc2cc(OC)ccc2O)CC1 ZINC000896961577 742622170 /nfs/dbraw/zinc/62/21/70/742622170.db2.gz DWDCZSLSUUUFBY-UHFFFAOYSA-N 0 1 361.360 3.108 20 10 FGCDMN COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)s1 ZINC000896968209 742623541 /nfs/dbraw/zinc/62/35/41/742623541.db2.gz FVPCQOHVPGWNOF-JTQLQIEISA-N 0 1 352.843 3.278 20 10 FGCDMN COC(=O)c1cnc([C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)s1 ZINC000896968209 742623542 /nfs/dbraw/zinc/62/35/42/742623542.db2.gz FVPCQOHVPGWNOF-JTQLQIEISA-N 0 1 352.843 3.278 20 10 FGCDMN COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)s1 ZINC000896968209 742623543 /nfs/dbraw/zinc/62/35/43/742623543.db2.gz FVPCQOHVPGWNOF-JTQLQIEISA-N 0 1 352.843 3.278 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Br)ccc1[O-] ZINC000903390659 743843801 /nfs/dbraw/zinc/84/38/01/743843801.db2.gz SPAYQUPUIATUDT-IAQYHMDHSA-N 0 1 356.260 3.143 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000903424242 743848571 /nfs/dbraw/zinc/84/85/71/743848571.db2.gz OYRVFPVNXKPLOV-LBPRGKRZSA-N 0 1 368.886 3.292 20 10 FGCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](c2[nH]ncc2N)C1 ZINC000907401979 744209549 /nfs/dbraw/zinc/20/95/49/744209549.db2.gz HXOQGLRIONJWLG-CYBMUJFWSA-N 0 1 355.467 3.091 20 10 FGCDMN Cc1nonc1[C@@H](C)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160260 759456964 /nfs/dbraw/zinc/45/69/64/759456964.db2.gz KXIFCLDIXXJUEV-DGCLKSJQSA-N 0 1 352.385 3.299 20 10 FGCDMN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1O ZINC000779012469 724380692 /nfs/dbraw/zinc/38/06/92/724380692.db2.gz DVVKHCIOMBMZSJ-UHFFFAOYSA-N 0 1 353.340 3.375 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000092661177 494701755 /nfs/dbraw/zinc/70/17/55/494701755.db2.gz XIZMLPKQQVQHAT-MRXNPFEDSA-N 0 1 370.287 3.315 20 10 FGCDMN Cc1nc(CN2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)no1 ZINC000093274029 494855334 /nfs/dbraw/zinc/85/53/34/494855334.db2.gz DYXXMMASUSBSDI-UHFFFAOYSA-N 0 1 364.449 3.068 20 10 FGCDMN C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265619 495128205 /nfs/dbraw/zinc/12/82/05/495128205.db2.gz JOXKNQDQQLNASC-KSSFIOAISA-N 0 1 373.884 3.325 20 10 FGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000113327058 495296767 /nfs/dbraw/zinc/29/67/67/495296767.db2.gz HLJTYHBUEIVNBZ-UHFFFAOYSA-N 0 1 364.848 3.436 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2ccccc2c1[O-] ZINC000186082177 495848452 /nfs/dbraw/zinc/84/84/52/495848452.db2.gz FYYKQPHWEAKAFA-RDTXWAMCSA-N 0 1 364.449 3.125 20 10 FGCDMN Cc1ncc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1 ZINC000151529390 495869351 /nfs/dbraw/zinc/86/93/51/495869351.db2.gz DHYUGHOPYKHCOP-CYBMUJFWSA-N 0 1 358.461 3.044 20 10 FGCDMN COc1cc(O)c(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC ZINC000187527521 496476846 /nfs/dbraw/zinc/47/68/46/496476846.db2.gz XRWNODSMDSVCDR-HXUWFJFHSA-N 0 1 371.412 3.161 20 10 FGCDMN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC000273591931 496848243 /nfs/dbraw/zinc/84/82/43/496848243.db2.gz PNCUFEDXIILKSY-MPGHIAIKSA-N 0 1 365.474 3.088 20 10 FGCDMN CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000264954481 497018493 /nfs/dbraw/zinc/01/84/93/497018493.db2.gz LVKJRQIADINQKN-UHFFFAOYSA-N 0 1 373.884 3.004 20 10 FGCDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000274860577 497184790 /nfs/dbraw/zinc/18/47/90/497184790.db2.gz ZJZVHAHDPDLZOL-UHFFFAOYSA-N 0 1 366.395 3.035 20 10 FGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1[O-] ZINC000271823836 497461479 /nfs/dbraw/zinc/46/14/79/497461479.db2.gz OENGPXUCZSUBSX-LLVKDONJSA-N 0 1 356.397 3.104 20 10 FGCDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1 ZINC000277079929 497736117 /nfs/dbraw/zinc/73/61/17/497736117.db2.gz CIXHGCYOEPKYQB-CABCVRRESA-N 0 1 370.501 3.479 20 10 FGCDMN Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263576939 497802635 /nfs/dbraw/zinc/80/26/35/497802635.db2.gz QYJRFHVVLSHRIL-QGZVFWFLSA-N 0 1 354.450 3.382 20 10 FGCDMN Cc1cc(C(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263576939 497802637 /nfs/dbraw/zinc/80/26/37/497802637.db2.gz QYJRFHVVLSHRIL-QGZVFWFLSA-N 0 1 354.450 3.382 20 10 FGCDMN CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)ccc1[O-] ZINC000281082372 498013714 /nfs/dbraw/zinc/01/37/14/498013714.db2.gz PGXZCNVQTJBJBE-XCLFUZPHSA-N 0 1 360.317 3.497 20 10 FGCDMN COC1CCN(c2ccc(CN3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000296462453 498053495 /nfs/dbraw/zinc/05/34/95/498053495.db2.gz JNHGDVCKDMTBQD-UHFFFAOYSA-N 0 1 366.509 3.019 20 10 FGCDMN CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000281294551 498092717 /nfs/dbraw/zinc/09/27/17/498092717.db2.gz YHGWVFHHKSSTNY-WCQYABFASA-N 0 1 355.276 3.064 20 10 FGCDMN CCN1CCN(c2ccc(CNc3nc(C4CC4)ns3)cc2F)CC1 ZINC000301517647 498144478 /nfs/dbraw/zinc/14/44/78/498144478.db2.gz MFMNFNWHTLVVAY-UHFFFAOYSA-N 0 1 361.490 3.309 20 10 FGCDMN Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)no1 ZINC000362385733 498507570 /nfs/dbraw/zinc/50/75/70/498507570.db2.gz GFUIJURFXXTAAX-SNVBAGLBSA-N 0 1 352.778 3.025 20 10 FGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc2cncn2c1 ZINC000297605760 498509758 /nfs/dbraw/zinc/50/97/58/498509758.db2.gz GASYHVPFGQDWQJ-UHFFFAOYSA-N 0 1 351.454 3.132 20 10 FGCDMN CCn1ccnc1[C@@H](C)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000297710110 498543830 /nfs/dbraw/zinc/54/38/30/498543830.db2.gz MSIJAWJGSUJVTC-MRXNPFEDSA-N 0 1 359.493 3.035 20 10 FGCDMN Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000365820897 498655725 /nfs/dbraw/zinc/65/57/25/498655725.db2.gz OQMHWEMHGFPQKD-LLVKDONJSA-N 0 1 350.806 3.067 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000367557922 499212295 /nfs/dbraw/zinc/21/22/95/499212295.db2.gz VJBKJLAOLIRTJW-UHFFFAOYSA-N 0 1 371.456 3.225 20 10 FGCDMN COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799043 499333887 /nfs/dbraw/zinc/33/38/87/499333887.db2.gz UMZYBYHUBKCAPX-HZPDHXFCSA-N 0 1 366.465 3.459 20 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/nfs/dbraw/zinc/04/11/41/504041141.db2.gz SHZFNSZJODSBQP-LBPRGKRZSA-N 0 1 369.303 3.454 20 10 FGCDMN COc1cc(O)c(CN2CCN(c3cccc4[nH]ccc43)CC2)cc1OC ZINC000529669366 504757025 /nfs/dbraw/zinc/75/70/25/504757025.db2.gz LZCQSAMHOTXVKW-UHFFFAOYSA-N 0 1 367.449 3.213 20 10 FGCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820426469 599396210 /nfs/dbraw/zinc/39/62/10/599396210.db2.gz KGMNQWSGANJUOX-SNVBAGLBSA-N 0 1 374.242 3.186 20 10 FGCDMN COc1ccc(N2CCC[N@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000738020430 599711852 /nfs/dbraw/zinc/71/18/52/599711852.db2.gz DMZRIYXFMCHILT-IBGZPJMESA-N 0 1 358.413 3.172 20 10 FGCDMN O=C([O-])c1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000739274547 600148415 /nfs/dbraw/zinc/14/84/15/600148415.db2.gz QMOBNQDZOPWIDX-UHFFFAOYSA-N 0 1 368.433 3.474 20 10 FGCDMN COc1ccc([C@H](C[NH2+]Cc2c([O-])cccc2Cl)N(C)C)cc1OC ZINC000113313399 700570926 /nfs/dbraw/zinc/57/09/26/700570926.db2.gz AATFEWRKVJECFG-INIZCTEOSA-N 0 1 364.873 3.455 20 10 FGCDMN O=C(Nc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1)[C@@H]1CCCO1 ZINC000113327875 700571031 /nfs/dbraw/zinc/57/10/31/700571031.db2.gz VHXYRIPQPPFNNM-SFHVURJKSA-N 0 1 360.841 3.453 20 10 FGCDMN CC1=C(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000133824859 704806182 /nfs/dbraw/zinc/80/61/82/704806182.db2.gz SWOATGCUFPDOFE-MRXNPFEDSA-N 0 1 364.873 3.211 20 10 FGCDMN CC1=C(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)CCCO1 ZINC000133824859 704806190 /nfs/dbraw/zinc/80/61/90/704806190.db2.gz SWOATGCUFPDOFE-MRXNPFEDSA-N 0 1 364.873 3.211 20 10 FGCDMN CC1=C(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)CCCO1 ZINC000133824859 704806196 /nfs/dbraw/zinc/80/61/96/704806196.db2.gz SWOATGCUFPDOFE-MRXNPFEDSA-N 0 1 364.873 3.211 20 10 FGCDMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)cc1 ZINC000779460203 724415195 /nfs/dbraw/zinc/41/51/95/724415195.db2.gz LWUHXVNPJZXUFC-GFCCVEGCSA-N 0 1 363.435 3.493 20 10 FGCDMN COc1cc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000747622728 722653096 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C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000756476605 722965284 /nfs/dbraw/zinc/96/52/84/722965284.db2.gz SKFVDKBKWVTIHV-GFCCVEGCSA-N 0 1 363.255 3.122 20 10 FGCDMN C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1O ZINC000757635937 722977761 /nfs/dbraw/zinc/97/77/61/722977761.db2.gz CGFZZYVXBXXTNU-SECBINFHSA-N 0 1 357.241 3.157 20 10 FGCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000790416149 723137775 /nfs/dbraw/zinc/13/77/75/723137775.db2.gz TZBINCWRYXLPDL-UHFFFAOYSA-N 0 1 369.826 3.195 20 10 FGCDMN C[C@H](C(=O)NCc1cccc(Br)c1[O-])[NH+]1CCCCCC1 ZINC000765728302 723535595 /nfs/dbraw/zinc/53/55/95/723535595.db2.gz GTRWENUPAXOQOV-GFCCVEGCSA-N 0 1 355.276 3.035 20 10 FGCDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1cccc(Br)c1O ZINC000765751119 723537964 /nfs/dbraw/zinc/53/79/64/723537964.db2.gz OKPOVPCHOAHMAF-UHFFFAOYSA-N 0 1 352.232 3.240 20 10 FGCDMN Cc1ccc(O)c([C@@H](C)N[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000794829939 723548206 /nfs/dbraw/zinc/54/82/06/723548206.db2.gz 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/nfs/dbraw/zinc/81/00/44/726810044.db2.gz ROJCEXDTXMQBNX-CQSZACIVSA-N 0 1 350.821 3.363 20 10 FGCDMN [O-]c1ccc(Cl)c(F)c1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000812778938 726810061 /nfs/dbraw/zinc/81/00/61/726810061.db2.gz ROJCEXDTXMQBNX-CQSZACIVSA-N 0 1 350.821 3.363 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)cc2n[nH]nc21 ZINC000813684772 726905048 /nfs/dbraw/zinc/90/50/48/726905048.db2.gz WSHNXXXLZWIHRN-UHFFFAOYSA-N 0 1 355.156 3.039 20 10 FGCDMN CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000815633850 727087926 /nfs/dbraw/zinc/08/79/26/727087926.db2.gz XUNSBQFSBIGZGA-NWDGAFQWSA-N 0 1 357.292 3.358 20 10 FGCDMN Cc1nc(CN2CCN(Cc3cc(Cl)c(F)cc3O)CC2)cs1 ZINC000816483026 727166780 /nfs/dbraw/zinc/16/67/80/727166780.db2.gz BSDKDFHHRIATJD-UHFFFAOYSA-N 0 1 355.866 3.267 20 10 FGCDMN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816522039 727171334 /nfs/dbraw/zinc/17/13/34/727171334.db2.gz HUQASZSEDWQBQG-XJKSGUPXSA-N 0 1 353.825 3.006 20 10 FGCDMN COC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1cc(F)ccc1F ZINC000816574226 727177094 /nfs/dbraw/zinc/17/70/94/727177094.db2.gz AWIBJXXZXVVINX-HNNXBMFYSA-N 0 1 359.731 3.467 20 10 FGCDMN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650478 729353047 /nfs/dbraw/zinc/35/30/47/729353047.db2.gz QLFFAMZAILEVOG-CYBMUJFWSA-N 0 1 369.303 3.283 20 10 FGCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650478 729353048 /nfs/dbraw/zinc/35/30/48/729353048.db2.gz QLFFAMZAILEVOG-CYBMUJFWSA-N 0 1 369.303 3.283 20 10 FGCDMN CCCc1ncc(CNCc2cc(Br)cc(OC)c2O)o1 ZINC000825086460 729370118 /nfs/dbraw/zinc/37/01/18/729370118.db2.gz SPYLVTZVHMYROB-UHFFFAOYSA-N 0 1 355.232 3.394 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124795 729371850 /nfs/dbraw/zinc/37/18/50/729371850.db2.gz YIHBNDXSISZVTK-TVQRCGJNSA-N 0 1 368.193 3.208 20 10 FGCDMN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825138817 729372727 /nfs/dbraw/zinc/37/27/27/729372727.db2.gz 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Cc1cc([O-])c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(Cl)c1 ZINC000840910036 730189944 /nfs/dbraw/zinc/18/99/44/730189944.db2.gz DOAYDRYZRROALA-UHFFFAOYSA-N 0 1 364.795 3.245 20 10 FGCDMN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841746408 730270051 /nfs/dbraw/zinc/27/00/51/730270051.db2.gz GHGDASWVFAQEAG-RYUDHWBXSA-N 0 1 368.886 3.366 20 10 FGCDMN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841746406 730270142 /nfs/dbraw/zinc/27/01/42/730270142.db2.gz GHGDASWVFAQEAG-NEPJUHHUSA-N 0 1 368.886 3.366 20 10 FGCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000843432752 730620655 /nfs/dbraw/zinc/62/06/55/730620655.db2.gz PCNBWNABXNAAHM-CYBMUJFWSA-N 0 1 371.186 3.199 20 10 FGCDMN COc1ccc(N(C)CCN(C)Cc2cncc(Br)c2)cc1 ZINC000844401757 730713056 /nfs/dbraw/zinc/71/30/56/730713056.db2.gz PWLXDKNYNKPLSM-UHFFFAOYSA-N 0 1 364.287 3.421 20 10 FGCDMN CCc1cccc(CNCc2nnc3ccc(C(F)(F)F)cn32)c1O ZINC000848900364 731218829 /nfs/dbraw/zinc/21/88/29/731218829.db2.gz KLEKPRWLTKNLCN-UHFFFAOYSA-N 0 1 350.344 3.306 20 10 FGCDMN CCS(=O)(=O)C1(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000850555115 731372482 /nfs/dbraw/zinc/37/24/82/731372482.db2.gz FYDXZEHETNBHFZ-OAHLLOKOSA-N 0 1 368.518 3.434 20 10 FGCDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000857866680 732164466 /nfs/dbraw/zinc/16/44/66/732164466.db2.gz DRXYJEHPSNPRJH-QPUJVOFHSA-N 0 1 354.237 3.404 20 10 FGCDMN CC(C)c1noc(CCC[NH2+]Cc2c([O-])cccc2Br)n1 ZINC000858124129 732182789 /nfs/dbraw/zinc/18/27/89/732182789.db2.gz GXPNHSUJPQRHAX-UHFFFAOYSA-N 0 1 354.248 3.384 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000858151160 732186418 /nfs/dbraw/zinc/18/64/18/732186418.db2.gz WAPZPUSFEVMZJI-XHDPSFHLSA-N 0 1 358.301 3.299 20 10 FGCDMN CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1c([O-])cccc1Br ZINC000858153929 732186632 /nfs/dbraw/zinc/18/66/32/732186632.db2.gz UNAPUMNXXDQFMB-UHFFFAOYSA-N 0 1 357.292 3.185 20 10 FGCDMN CC(C)(C)CNC(=O)C(C)(C)NCc1c(O)cccc1Br ZINC000858153929 732186636 /nfs/dbraw/zinc/18/66/36/732186636.db2.gz UNAPUMNXXDQFMB-UHFFFAOYSA-N 0 1 357.292 3.185 20 10 FGCDMN COc1ccc(COCC[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858156627 732187026 /nfs/dbraw/zinc/18/70/26/732187026.db2.gz OMCJSJNBZOIFLY-UHFFFAOYSA-N 0 1 366.255 3.470 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000858527211 732224014 /nfs/dbraw/zinc/22/40/14/732224014.db2.gz PGXJPSBJFORTRM-OCCSQVGLSA-N 0 1 370.877 3.332 20 10 FGCDMN CN(C)c1cc(F)c(CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1F ZINC000862292232 732805998 /nfs/dbraw/zinc/80/59/98/732805998.db2.gz DEYKMMQNASJICJ-LJQANCHMSA-N 0 1 350.384 3.263 20 10 FGCDMN COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000862497622 732841864 /nfs/dbraw/zinc/84/18/64/732841864.db2.gz YBKGJJHRTWIGAA-DLBZAZTESA-N 0 1 361.825 3.140 20 10 FGCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000862497622 732841869 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COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@H]1CCCOC1 ZINC000886788775 739300000 /nfs/dbraw/zinc/30/00/00/739300000.db2.gz ISHIMQZSCKXEHQ-HUBLWGQQSA-N 0 1 358.276 3.247 20 10 FGCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000893962951 742219326 /nfs/dbraw/zinc/21/93/26/742219326.db2.gz UORSJQTWZJQTMD-JTQLQIEISA-N 0 1 370.222 3.365 20 10 FGCDMN Cc1noc([C@H]2CCCN2Cc2cc(Br)cc(F)c2O)n1 ZINC000894757765 742328425 /nfs/dbraw/zinc/32/84/25/742328425.db2.gz VKEFGJLSJWFCEN-GFCCVEGCSA-N 0 1 356.195 3.322 20 10 FGCDMN CC(C)[C@H](N[C@@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000903063936 743800804 /nfs/dbraw/zinc/80/08/04/743800804.db2.gz JLOHQIJCSHVYMJ-HZMBPMFUSA-N 0 1 353.264 3.331 20 10 FGCDMN CC[C@H]([NH2+]Cc1cn(C)nc1OC)c1cc(Br)ccc1[O-] ZINC000903338011 743838798 /nfs/dbraw/zinc/83/87/98/743838798.db2.gz NMPLVPSWEADXSW-ZDUSSCGKSA-N 0 1 354.248 3.138 20 10 FGCDMN Oc1c(F)cc(F)cc1CNC1(c2ncc(Br)cn2)CCC1 ZINC000923002138 759048079 /nfs/dbraw/zinc/04/80/79/759048079.db2.gz YPXCMVHTZGYLGZ-UHFFFAOYSA-N 0 1 370.197 3.392 20 10 FGCDMN C[C@@H](c1cc(Br)ccc1O)N1CCc2sc(CN)nc2C1 ZINC000925747462 759530452 /nfs/dbraw/zinc/53/04/52/759530452.db2.gz IJXJHQYPSAMPCH-VIFPVBQESA-N 0 1 368.300 3.189 20 10 FGCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000082979546 493983776 /nfs/dbraw/zinc/98/37/76/493983776.db2.gz IIVLUSKHBLMRBU-UHFFFAOYSA-N 0 1 355.467 3.294 20 10 FGCDMN CCOc1cccc(CN2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000121224116 494654289 /nfs/dbraw/zinc/65/42/89/494654289.db2.gz JZQOYVZBDLAEMH-UHFFFAOYSA-N 0 1 354.450 3.139 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1[O-] ZINC000093200668 494841856 /nfs/dbraw/zinc/84/18/56/494841856.db2.gz NCUCXAKXQOENKA-CQSZACIVSA-N 0 1 360.433 3.286 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1[O-] ZINC000093200668 494841859 /nfs/dbraw/zinc/84/18/59/494841859.db2.gz NCUCXAKXQOENKA-CQSZACIVSA-N 0 1 360.433 3.286 20 10 FGCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nncn3C(C)C)C2)c1O ZINC000093200668 494841861 /nfs/dbraw/zinc/84/18/61/494841861.db2.gz NCUCXAKXQOENKA-CQSZACIVSA-N 0 1 360.433 3.286 20 10 FGCDMN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 ZINC000111235861 495052192 /nfs/dbraw/zinc/05/21/92/495052192.db2.gz WEIGATTYFRGCCG-LSDHHAIUSA-N 0 1 372.465 3.107 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000177177661 495962360 /nfs/dbraw/zinc/96/23/60/495962360.db2.gz SKSGHPPHFOXJAP-CYBMUJFWSA-N 0 1 374.872 3.166 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000177177661 495962366 /nfs/dbraw/zinc/96/23/66/495962366.db2.gz SKSGHPPHFOXJAP-CYBMUJFWSA-N 0 1 374.872 3.166 20 10 FGCDMN C[C@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000186435137 495997580 /nfs/dbraw/zinc/99/75/80/495997580.db2.gz LYZYRAXVTXTAIC-HNNXBMFYSA-N 0 1 351.454 3.301 20 10 FGCDMN CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1cc(Br)ccc1[O-] ZINC000156562474 496280227 /nfs/dbraw/zinc/28/02/27/496280227.db2.gz NWYVADGRUWKSSF-GWCFXTLKSA-N 0 1 364.305 3.019 20 10 FGCDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268877812 496811370 /nfs/dbraw/zinc/81/13/70/496811370.db2.gz QPZPYPVPRXZSEM-ZNMIVQPWSA-N 0 1 360.477 3.332 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1O ZINC000248534198 497032610 /nfs/dbraw/zinc/03/26/10/497032610.db2.gz JCBRTZUTCDDTBK-UVBJJODRSA-N 0 1 351.830 3.466 20 10 FGCDMN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271536680 497375779 /nfs/dbraw/zinc/37/57/79/497375779.db2.gz XTPMUZHZYOJCHJ-LIRRHRJNSA-N 0 1 362.420 3.186 20 10 FGCDMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000279945259 497597913 /nfs/dbraw/zinc/59/79/13/497597913.db2.gz BKLTXGSSLMZCJQ-CYBMUJFWSA-N 0 1 352.525 3.459 20 10 FGCDMN CCCOc1ccc(CN2CCCC[C@@H]2c2n[nH]c(COC)n2)c(O)c1 ZINC000296021756 497893497 /nfs/dbraw/zinc/89/34/97/497893497.db2.gz MMCUPAWBTOEPKY-MRXNPFEDSA-N 0 1 360.458 3.173 20 10 FGCDMN 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1 366.509 3.337 20 10 FGCDMN O=S1(=O)CCN(Cc2cccc(Cl)c2O)[C@H](c2ccccc2)C1 ZINC000373222974 499458470 /nfs/dbraw/zinc/45/84/70/499458470.db2.gz FJQPERGEYXTXJJ-INIZCTEOSA-N 0 1 351.855 3.017 20 10 FGCDMN CC[C@@H](c1ccccc1O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000377668956 499717459 /nfs/dbraw/zinc/71/74/59/499717459.db2.gz GIWNCNRWACICMP-IRXDYDNUSA-N 0 1 365.433 3.028 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C)CCCOC2)C1 ZINC000444338327 500836420 /nfs/dbraw/zinc/83/64/20/500836420.db2.gz FMSYDKSVDYWBIE-JOCHJYFZSA-N 0 1 369.509 3.093 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccncc32)C1 ZINC000444352664 500838362 /nfs/dbraw/zinc/83/83/62/500838362.db2.gz PCTUAQORVXQXSH-UHFFFAOYSA-N 0 1 374.488 3.392 20 10 FGCDMN CC(C)OCCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435869623 501039472 /nfs/dbraw/zinc/03/94/72/501039472.db2.gz XRMZUGAHVDBHDJ-UHFFFAOYSA-N 0 1 371.525 3.339 20 10 FGCDMN CCOC(C)(C)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435990122 501054507 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10 FGCDMN Cn1ncc(Cl)c1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000131882580 700821151 /nfs/dbraw/zinc/82/11/51/700821151.db2.gz ZHGKNARVBQNPNN-LBPRGKRZSA-N 0 1 370.831 3.434 20 10 FGCDMN CN(CC(=O)N(C)CC(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000154083331 705021850 /nfs/dbraw/zinc/02/18/50/705021850.db2.gz HUSFMARTVFKPFW-UHFFFAOYSA-N 0 1 357.420 3.129 20 10 FGCDMN C[C@](O)(C[NH2+]Cc1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000157771089 705163362 /nfs/dbraw/zinc/16/33/62/705163362.db2.gz FLHWDCDHSJTEOF-INIZCTEOSA-N 0 1 354.219 3.291 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCN(C(C)C)C1=O ZINC000177027183 705601301 /nfs/dbraw/zinc/60/13/01/705601301.db2.gz DCMRWXJOZMISPN-OAHLLOKOSA-N 0 1 369.303 3.376 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCN(C(C)C)C1=O ZINC000177027183 705601309 /nfs/dbraw/zinc/60/13/09/705601309.db2.gz DCMRWXJOZMISPN-OAHLLOKOSA-N 0 1 369.303 3.376 20 10 FGCDMN COc1ccc(O)c([C@@H](C)NCc2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000182457239 705844177 /nfs/dbraw/zinc/84/41/77/705844177.db2.gz FITOFNRIPZWIGJ-SNVBAGLBSA-N 0 1 359.451 3.166 20 10 FGCDMN COc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1F ZINC000193168024 712883782 /nfs/dbraw/zinc/88/37/82/712883782.db2.gz KSWGOUWLQKVLBE-UVTDQMKNSA-N 0 1 366.483 3.130 20 10 FGCDMN Cc1[nH+]ccn1CCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000804950328 724568377 /nfs/dbraw/zinc/56/83/77/724568377.db2.gz WWZPMSHBKBGYEN-UHFFFAOYSA-N 0 1 357.241 3.093 20 10 FGCDMN Cn1ncc2c1CCC[C@H]2NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804970484 724569856 /nfs/dbraw/zinc/56/98/56/724569856.db2.gz RIFOLUUJWBIPRW-CYBMUJFWSA-N 0 1 369.252 3.309 20 10 FGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1ncn(C)n1 ZINC000783305207 724746272 /nfs/dbraw/zinc/74/62/72/724746272.db2.gz PXJSJUJUJWJTJD-JGVFFNPUSA-N 0 1 359.655 3.348 20 10 FGCDMN C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075932 722412637 /nfs/dbraw/zinc/41/26/37/722412637.db2.gz QQGKWPHKGIXASF-ASCAZGACSA-N 0 1 354.697 3.007 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000725846471 722424550 /nfs/dbraw/zinc/42/45/50/722424550.db2.gz JGAWKYSKUMJBMV-ZDUSSCGKSA-N 0 1 368.246 3.235 20 10 FGCDMN CCc1cc(CN(C)C[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740866317 722538666 /nfs/dbraw/zinc/53/86/66/722538666.db2.gz BLGSPDMBRYMUII-OAHLLOKOSA-N 0 1 353.528 3.119 20 10 FGCDMN C[S@@](=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000751152090 722796355 /nfs/dbraw/zinc/79/63/55/722796355.db2.gz KUCDYHOZBDMTNN-HXUWFJFHSA-N 0 1 354.269 3.182 20 10 FGCDMN C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc(Br)ccc1[O-] ZINC000756398303 722963891 /nfs/dbraw/zinc/96/38/91/722963891.db2.gz UOCYSZBZSCGHDW-JSGCOSHPSA-N 0 1 366.255 3.245 20 10 FGCDMN CS(=O)(=O)C1CCN(Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000760394925 723053511 /nfs/dbraw/zinc/05/35/11/723053511.db2.gz DZDXOMIYPYAKGU-UHFFFAOYSA-N 0 1 363.479 3.026 20 10 FGCDMN CC1(C)Cc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C(=O)C1 ZINC000790069777 723102623 /nfs/dbraw/zinc/10/26/23/723102623.db2.gz SXYCOFADXMJGDQ-UHFFFAOYSA-N 0 1 350.371 3.101 20 10 FGCDMN COc1cc(Cl)cc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000761191856 723131686 /nfs/dbraw/zinc/13/16/86/723131686.db2.gz XYZHQGWZCVSTHR-CQSZACIVSA-N 0 1 370.877 3.495 20 10 FGCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)C[C@@H](C)O1 ZINC000792167324 723317132 /nfs/dbraw/zinc/31/71/32/723317132.db2.gz NFPFASKWZZIUOJ-MCIONIFRSA-N 0 1 356.869 3.258 20 10 FGCDMN CC(C)c1nc([C@@H]2COCCN2Cc2c(O)ccc(Cl)c2F)no1 ZINC000792174659 723318649 /nfs/dbraw/zinc/31/86/49/723318649.db2.gz XZMXVWCDXTYVME-LBPRGKRZSA-N 0 1 355.797 3.265 20 10 FGCDMN CC[C@H](C)[C@H](OC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000793689962 723461078 /nfs/dbraw/zinc/46/10/78/723461078.db2.gz QXOYEPNRTPSQSX-OWQGQXMQSA-N 0 1 368.905 3.187 20 10 FGCDMN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000795354979 723584585 /nfs/dbraw/zinc/58/45/85/723584585.db2.gz WDNHKKZAJDUYLV-UHFFFAOYSA-N 0 1 369.464 3.070 20 10 FGCDMN Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cccc(Br)c1O ZINC000770333446 723711354 /nfs/dbraw/zinc/71/13/54/723711354.db2.gz YOHXIETZGAYATR-AWEZNQCLSA-N 0 1 366.259 3.068 20 10 FGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(F)CCCC1 ZINC000773408695 723784184 /nfs/dbraw/zinc/78/41/84/723784184.db2.gz URACGSHSYKDGEG-HNNXBMFYSA-N 0 1 354.853 3.409 20 10 FGCDMN COC(=O)c1coc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000774134345 723861922 /nfs/dbraw/zinc/86/19/22/723861922.db2.gz YZIWOHJBGWGZRE-CQSZACIVSA-N 0 1 360.479 3.470 20 10 FGCDMN CSc1ccc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000799198739 723997987 /nfs/dbraw/zinc/99/79/87/723997987.db2.gz KSSXPEOOAIITHF-OAHLLOKOSA-N 0 1 357.523 3.442 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1cc(Br)ccc1[O-] ZINC000775526967 723998529 /nfs/dbraw/zinc/99/85/29/723998529.db2.gz UNJMUEKKKZWHTN-XBFCOCLRSA-N 0 1 355.276 3.110 20 10 FGCDMN COc1cccc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000775968247 724090447 /nfs/dbraw/zinc/09/04/47/724090447.db2.gz IDXUGRCTGNZOJP-KBPBESRZSA-N 0 1 350.459 3.231 20 10 FGCDMN O=C(C1=CC(=O)CS1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000777813795 724261156 /nfs/dbraw/zinc/26/11/56/724261156.db2.gz OCRCAOXKHGNGDY-ZDUSSCGKSA-N 0 1 354.435 3.259 20 10 FGCDMN CS(=O)(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)s1 ZINC000786828390 725002584 /nfs/dbraw/zinc/00/25/84/725002584.db2.gz QOLFLVYCGPHBAS-UHFFFAOYSA-N 0 1 364.536 3.432 20 10 FGCDMN Cc1n[nH]cc1CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805179704 725054814 /nfs/dbraw/zinc/05/48/14/725054814.db2.gz OBUCNPWVSFNCPZ-UHFFFAOYSA-N 0 1 357.241 3.163 20 10 FGCDMN CCOC(=O)c1csc(/C=C/c2ccc(N3CCN(C)CC3)cc2)n1 ZINC000806562129 725133435 /nfs/dbraw/zinc/13/34/35/725133435.db2.gz GQDOUXRGTKPHPG-RMKNXTFCSA-N 0 1 357.479 3.242 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(F)(F)C1CCOCC1 ZINC000807835985 725171362 /nfs/dbraw/zinc/17/13/62/725171362.db2.gz DCKWFKNOXMHPPE-UHFFFAOYSA-N 0 1 354.180 3.377 20 10 FGCDMN C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807834374 725171458 /nfs/dbraw/zinc/17/14/58/725171458.db2.gz LPCIOPPTPMAUSW-MRVPVSSYSA-N 0 1 373.261 3.195 20 10 FGCDMN COC(=O)c1c(C)[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807838832 725172140 /nfs/dbraw/zinc/17/21/40/725172140.db2.gz RXDBOKWFLYMITM-UHFFFAOYSA-N 0 1 371.220 3.361 20 10 FGCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)N(C)CC(F)(F)F ZINC000807841034 725172253 /nfs/dbraw/zinc/17/22/53/725172253.db2.gz QCSBUTXNQFTEGX-SSDOTTSWSA-N 0 1 359.175 3.198 20 10 FGCDMN CCNC(=O)OC[C@H]1CCCCN1Cc1cc(Br)ccc1O ZINC000809691631 725259131 /nfs/dbraw/zinc/25/91/31/725259131.db2.gz PIUGZSRBMCTNQP-CQSZACIVSA-N 0 1 371.275 3.255 20 10 FGCDMN C[C@@](O)(Cc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683930 726904921 /nfs/dbraw/zinc/90/49/21/726904921.db2.gz HTXJUJPUKSSJMR-QGZVFWFLSA-N 0 1 354.233 3.309 20 10 FGCDMN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000813788535 726914471 /nfs/dbraw/zinc/91/44/71/726914471.db2.gz OUBMZUYWBJVPFL-RYUDHWBXSA-N 0 1 358.841 3.483 20 10 FGCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])CC[C@H]21 ZINC000814176465 726945089 /nfs/dbraw/zinc/94/50/89/726945089.db2.gz QEOLQHDMUCCVCN-CZUORRHYSA-N 0 1 350.434 3.363 20 10 FGCDMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])C[C@@H](C)O1 ZINC000816496572 727168088 /nfs/dbraw/zinc/16/80/88/727168088.db2.gz OTSMUMRHCCZCOX-UMVBOHGHSA-N 0 1 356.869 3.258 20 10 FGCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](COc2ccccc2)C1 ZINC000816591306 727178588 /nfs/dbraw/zinc/17/85/88/727178588.db2.gz ZZFURZUZDSEVHM-OAHLLOKOSA-N 0 1 351.805 3.465 20 10 FGCDMN CC[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000818351304 727308797 /nfs/dbraw/zinc/30/87/97/727308797.db2.gz QDOSWSALOASJMU-CYBMUJFWSA-N 0 1 353.406 3.277 20 10 FGCDMN COc1cc(Cl)cc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824635275 729351804 /nfs/dbraw/zinc/35/18/04/729351804.db2.gz FZPFJLBHKGXOES-QFBILLFUSA-N 0 1 365.832 3.354 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824636532 729352131 /nfs/dbraw/zinc/35/21/31/729352131.db2.gz RSOVWRROCNDSFK-KSSFIOAISA-N 0 1 353.796 3.485 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000825138706 729372529 /nfs/dbraw/zinc/37/25/29/729372529.db2.gz UFELXNIVMNGQRX-CQSZACIVSA-N 0 1 350.256 3.096 20 10 FGCDMN CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825413481 729382314 /nfs/dbraw/zinc/38/23/14/729382314.db2.gz XSULWGMUDVESTA-UHFFFAOYSA-N 0 1 353.871 3.437 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000825768323 729394865 /nfs/dbraw/zinc/39/48/65/729394865.db2.gz HVDYFYBLHBFFRE-UHFFFAOYSA-N 0 1 368.300 3.370 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1Cl ZINC000825779590 729395124 /nfs/dbraw/zinc/39/51/24/729395124.db2.gz LVWZCIMTCFINCA-UHFFFAOYSA-N 0 1 367.898 3.101 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000826029256 729402798 /nfs/dbraw/zinc/40/27/98/729402798.db2.gz BGEKARCVPSSBAI-ZDUSSCGKSA-N 0 1 351.855 3.015 20 10 FGCDMN Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000827400607 729429786 /nfs/dbraw/zinc/42/97/86/729429786.db2.gz CROHZBZRQZSVRH-UHFFFAOYSA-N 0 1 350.260 3.446 20 10 FGCDMN CC[NH+](CC)CCCC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000828217416 729441280 /nfs/dbraw/zinc/44/12/80/729441280.db2.gz XOECVXVVZKAGQF-UHFFFAOYSA-N 0 1 352.450 3.211 20 10 FGCDMN CN(C)c1ccc(/C=C/CN2CCCN(Cc3cscn3)CC2)cc1 ZINC000835026778 729850542 /nfs/dbraw/zinc/85/05/42/729850542.db2.gz HNOQMERSXBYBNS-HWKANZROSA-N 0 1 356.539 3.430 20 10 FGCDMN C[C@]1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483482 730034405 /nfs/dbraw/zinc/03/44/05/730034405.db2.gz AVYSHEAFOKBLRD-VQIMIIECSA-N 0 1 366.889 3.085 20 10 FGCDMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cncc(F)c1 ZINC000840761304 730170623 /nfs/dbraw/zinc/17/06/23/730170623.db2.gz VQXAPSIJLFSKGP-LBPRGKRZSA-N 0 1 351.372 3.186 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)ccc1[O-] ZINC000840886988 730188431 /nfs/dbraw/zinc/18/84/31/730188431.db2.gz QFTJQZVAPSMQCX-KDDOJWQBSA-N 0 1 350.203 3.354 20 10 FGCDMN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000840947684 730195361 /nfs/dbraw/zinc/19/53/61/730195361.db2.gz BZEHAKVBFXGPDC-CQSZACIVSA-N 0 1 351.752 3.281 20 10 FGCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840947684 730195371 /nfs/dbraw/zinc/19/53/71/730195371.db2.gz BZEHAKVBFXGPDC-CQSZACIVSA-N 0 1 351.752 3.281 20 10 FGCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840947684 730195374 /nfs/dbraw/zinc/19/53/74/730195374.db2.gz BZEHAKVBFXGPDC-CQSZACIVSA-N 0 1 351.752 3.281 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(Cl)c1 ZINC000840953587 730196124 /nfs/dbraw/zinc/19/61/24/730196124.db2.gz VMTANEPYNJEEIJ-CYBMUJFWSA-N 0 1 370.877 3.080 20 10 FGCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000840975762 730199841 /nfs/dbraw/zinc/19/98/41/730199841.db2.gz RBRFXZUSQUGXDX-INIZCTEOSA-N 0 1 356.260 3.238 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(Cl)cc1[O-] ZINC000841744703 730269795 /nfs/dbraw/zinc/26/97/95/730269795.db2.gz RRKXNHGDJHOROF-NSHDSACASA-N 0 1 354.859 3.268 20 10 FGCDMN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841753241 730270692 /nfs/dbraw/zinc/27/06/92/730270692.db2.gz YEBBEVVJBUZIOS-LLVKDONJSA-N 0 1 374.915 3.045 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)cc1[O-] ZINC000841753667 730271084 /nfs/dbraw/zinc/27/10/84/730271084.db2.gz MZAISEXLOGLINT-GUYCJALGSA-N 0 1 359.857 3.282 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)cc1[O-] ZINC000841764862 730272026 /nfs/dbraw/zinc/27/20/26/730272026.db2.gz SHAXEEQNABCJCZ-GXTWGEPZSA-N 0 1 359.857 3.074 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)ccc1[O-] ZINC000842883579 730553611 /nfs/dbraw/zinc/55/36/11/730553611.db2.gz DWKXDMXEKAUPKU-MFKMUULPSA-N 0 1 355.276 3.205 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C\c3cc4cnccc4o3)SC2=S)CC1 ZINC000844269479 730696479 /nfs/dbraw/zinc/69/64/79/730696479.db2.gz SLOMOZSBHWIERQ-OQLLNIDSSA-N 0 1 359.476 3.123 20 10 FGCDMN COCCOc1cc2c(cc1C[NH2+]Cc1cc(Cl)ccc1[O-])OCO2 ZINC000846058714 730924578 /nfs/dbraw/zinc/92/45/78/730924578.db2.gz SHAPHBZTZSFQQE-UHFFFAOYSA-N 0 1 365.813 3.089 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000846159216 730932602 /nfs/dbraw/zinc/93/26/02/730932602.db2.gz CUHJXJFBGIWYDM-CJNGLKHVSA-N 0 1 367.232 3.488 20 10 FGCDMN CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000846210890 730936832 /nfs/dbraw/zinc/93/68/32/730936832.db2.gz CWRLSBPQJZQZDL-GOEBONIOSA-N 0 1 358.276 3.127 20 10 FGCDMN COc1ccncc1CN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848551053 731180102 /nfs/dbraw/zinc/18/01/02/731180102.db2.gz CFIBCHNGBXUMDT-JTQLQIEISA-N 0 1 367.243 3.418 20 10 FGCDMN CCn1ccc(CN[C@@H](C)c2cc(Br)cc(OC)c2O)n1 ZINC000848553866 731180792 /nfs/dbraw/zinc/18/07/92/731180792.db2.gz ZFJFDRYEBBRIPX-JTQLQIEISA-N 0 1 354.248 3.231 20 10 FGCDMN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000850501808 731365606 /nfs/dbraw/zinc/36/56/06/731365606.db2.gz POEGAZANGXGQKZ-GMZLATJGSA-N 0 1 372.303 3.371 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000858106624 732181216 /nfs/dbraw/zinc/18/12/16/732181216.db2.gz NADUZYKVGXMCFF-CYBMUJFWSA-N 0 1 368.246 3.235 20 10 FGCDMN O=C(CC1CCCCC1)NCC[NH2+]Cc1c([O-])cccc1Br ZINC000858136358 732184209 /nfs/dbraw/zinc/18/42/09/732184209.db2.gz PTKJOQYAWPYYRA-UHFFFAOYSA-N 0 1 369.303 3.331 20 10 FGCDMN CN(C)C(=O)C1([NH2+]Cc2c([O-])cccc2Br)CCCCC1 ZINC000858172722 732188695 /nfs/dbraw/zinc/18/86/95/732188695.db2.gz DKMDJPLKJOXVAT-UHFFFAOYSA-N 0 1 355.276 3.035 20 10 FGCDMN Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000858186370 732190332 /nfs/dbraw/zinc/19/03/32/732190332.db2.gz ZSSRLAPSAPGZKV-AWEZNQCLSA-N 0 1 363.255 3.021 20 10 FGCDMN Oc1cccc(Br)c1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000862242003 732796271 /nfs/dbraw/zinc/79/62/71/732796271.db2.gz RSKFDNQHYRJZJA-ZYHUDNBSSA-N 0 1 354.166 3.042 20 10 FGCDMN COCCc1ncc(CNCc2ccc(N3CCSCC3)cc2)s1 ZINC000865417341 733195409 /nfs/dbraw/zinc/19/54/09/733195409.db2.gz HOBRWPHHEZJIQT-UHFFFAOYSA-N 0 1 363.552 3.175 20 10 FGCDMN COCCc1ncc(CN2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000876632023 736124222 /nfs/dbraw/zinc/12/42/22/736124222.db2.gz PVVQAOOIFVKVMU-UHFFFAOYSA-N 0 1 361.511 3.053 20 10 FGCDMN Cc1ccc(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC000876640907 736124962 /nfs/dbraw/zinc/12/49/62/736124962.db2.gz BSWOYJWHVNIJTC-UHFFFAOYSA-N 0 1 363.479 3.005 20 10 FGCDMN CO[C@H]1C[C@@H]2CN(Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687621 736704684 /nfs/dbraw/zinc/70/46/84/736704684.db2.gz KRCTUCJNMVVDAG-SJORKVTESA-N 0 1 359.857 3.050 20 10 FGCDMN O=S(=O)(CC[C@@H]1CCCCO1)NCc1cc(Cl)cc(Cl)c1O ZINC000882197980 737432315 /nfs/dbraw/zinc/43/23/15/737432315.db2.gz NWMYGKYVINCHTO-LBPRGKRZSA-N 0 1 368.282 3.078 20 10 FGCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000894786143 742333853 /nfs/dbraw/zinc/33/38/53/742333853.db2.gz FQJALTWIQAEKNU-LJQANCHMSA-N 0 1 351.368 3.237 20 10 FGCDMN COc1cc(Cl)cc(CN2CCC(CO)(C(F)(F)F)CC2)c1O ZINC000897037570 742634457 /nfs/dbraw/zinc/63/44/57/742634457.db2.gz SDRZVKPAFAHBDA-UHFFFAOYSA-N 0 1 353.768 3.191 20 10 FGCDMN COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)c(C)cc1[O-])CCO2 ZINC000897997561 742731800 /nfs/dbraw/zinc/73/18/00/742731800.db2.gz GXTOQXNPIQDRBQ-QZTJIDSGSA-N 0 1 355.862 3.146 20 10 FGCDMN O=S(=O)(Nc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1)C1CC1 ZINC000898292503 742771196 /nfs/dbraw/zinc/77/11/96/742771196.db2.gz MNLGNNMPXFNXBG-UHFFFAOYSA-N 0 1 366.870 3.240 20 10 FGCDMN Cc1cc([O-])c(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1Cl ZINC000898400176 742790466 /nfs/dbraw/zinc/79/04/66/742790466.db2.gz XJNAKKIKUUMYNU-DEOSSOPVSA-N 0 1 373.950 3.140 20 10 FGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898724556 742827034 /nfs/dbraw/zinc/82/70/34/742827034.db2.gz NNFIWPIROUJMJV-VIFPVBQESA-N 0 1 356.651 3.109 20 10 FGCDMN C[C@@H]1C[C@H](NCc2cn(C)nc2Br)c2c1c(F)ccc2O ZINC000903187927 743819427 /nfs/dbraw/zinc/81/94/27/743819427.db2.gz LCDCYKPKMTYZNB-KCJUWKMLSA-N 0 1 354.223 3.365 20 10 FGCDMN Cn1c(NCc2cc(Cl)cc(Br)c2O)nnc1C1CC1 ZINC000905416484 744020835 /nfs/dbraw/zinc/02/08/35/744020835.db2.gz GKIVDYRBMPPUHS-UHFFFAOYSA-N 0 1 357.639 3.426 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccccc2S(C)(=O)=O)c(Cl)c1 ZINC000922681392 758978365 /nfs/dbraw/zinc/97/83/65/758978365.db2.gz MHZMVIPHSUKYLD-UHFFFAOYSA-N 0 1 353.871 3.090 20 10 FGCDMN Cc1nonc1[C@H](C)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924904378 759414900 /nfs/dbraw/zinc/41/49/00/759414900.db2.gz CEYLATOSHRPFRY-NSHDSACASA-N 0 1 352.385 3.299 20 10 FGCDMN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185344566 495539648 /nfs/dbraw/zinc/53/96/48/495539648.db2.gz QQASHFSVYRCMAL-QWHCGFSZSA-N 0 1 360.329 3.233 20 10 FGCDMN C[S@@](=O)C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000154743444 495715280 /nfs/dbraw/zinc/71/52/80/495715280.db2.gz ZSPAUNOBAKDJFT-BTYIYWSLSA-N 0 1 368.296 3.364 20 10 FGCDMN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc4ccccc4c3[O-])C2=O)n(C)n1 ZINC000186083323 495848285 /nfs/dbraw/zinc/84/82/85/495848285.db2.gz YQEMTAYZULVGJS-RDTXWAMCSA-N 0 1 364.449 3.043 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1[O-] ZINC000186144069 495872766 /nfs/dbraw/zinc/87/27/66/495872766.db2.gz YLKJELGONYLXAV-JOYOIKCWSA-N 0 1 350.768 3.250 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cc(Br)ccc1[O-] ZINC000155586827 496004170 /nfs/dbraw/zinc/00/41/70/496004170.db2.gz JPAYDVJSCLCOQI-JSGCOSHPSA-N 0 1 365.275 3.110 20 10 FGCDMN COc1cc(O)c(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000180678040 496100332 /nfs/dbraw/zinc/10/03/32/496100332.db2.gz YLHFNFQYLISCGW-ZJWNCGCPSA-N 0 1 363.479 3.340 20 10 FGCDMN O=C(CCc1ccccn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158123679 496633308 /nfs/dbraw/zinc/63/33/08/496633308.db2.gz CGNPQTVRQCVSMY-SFHVURJKSA-N 0 1 373.884 3.154 20 10 FGCDMN COCc1ccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000268827209 496796997 /nfs/dbraw/zinc/79/69/97/496796997.db2.gz ZHYUXFDQRSHISV-GJZGRUSLSA-N 0 1 362.445 3.469 20 10 FGCDMN CCN(Cc1ccccc1)c1ccc(CN[C@H](CO)c2cnn(C)c2)cc1 ZINC000270277368 497091939 /nfs/dbraw/zinc/09/19/39/497091939.db2.gz YWBDQJPBPAYTGM-JOCHJYFZSA-N 0 1 364.493 3.270 20 10 FGCDMN CC(C)(C)c1nnc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000268187723 497696168 /nfs/dbraw/zinc/69/61/68/497696168.db2.gz KHBKKAPIZHDPFX-UHFFFAOYSA-N 0 1 356.835 3.393 20 10 FGCDMN C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000277251159 497788275 /nfs/dbraw/zinc/78/82/75/497788275.db2.gz PNAZBVHPNGXMGW-LBPRGKRZSA-N 0 1 374.934 3.289 20 10 FGCDMN Cc1cc(C(=O)C[N@H+]2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263580780 497802961 /nfs/dbraw/zinc/80/29/61/497802961.db2.gz WHZIHHCSOMRKSC-KRWDZBQOSA-N 0 1 354.450 3.300 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@H]3CCOC3)no2)C1 ZINC000350564227 498115819 /nfs/dbraw/zinc/11/58/19/498115819.db2.gz GAKCPMAABLJYSU-HNNXBMFYSA-N 0 1 366.465 3.343 20 10 FGCDMN CS(=O)(=O)CC1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000292852202 498171967 /nfs/dbraw/zinc/17/19/67/498171967.db2.gz UGFVBJRFRLIFNN-UHFFFAOYSA-N 0 1 359.491 3.316 20 10 FGCDMN CC(C)n1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000289691134 498249662 /nfs/dbraw/zinc/24/96/62/498249662.db2.gz KCYBYTSZVVOOCZ-CQSZACIVSA-N 0 1 365.428 3.219 20 10 FGCDMN CCN(CC)c1ccc(CN[C@@H](c2nnc[nH]2)c2cccnc2)cc1F ZINC000283834984 498996062 /nfs/dbraw/zinc/99/60/62/498996062.db2.gz ATCRLSVHWGNXTP-GOSISDBHSA-N 0 1 354.433 3.064 20 10 FGCDMN CN(C(=O)c1ccc(NCc2ccccc2O)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000367041204 499138238 /nfs/dbraw/zinc/13/82/38/499138238.db2.gz SJHLOPVHIZJYPU-LJQANCHMSA-N 0 1 353.466 3.171 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1cc(Br)ccc1[O-] ZINC000367066360 499142724 /nfs/dbraw/zinc/14/27/24/499142724.db2.gz JBXOTKNBYDFKNV-VBQJREDUSA-N 0 1 367.287 3.253 20 10 FGCDMN Cc1ccc([C@@H](C)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c(O)c1 ZINC000369901966 499148279 /nfs/dbraw/zinc/14/82/79/499148279.db2.gz JDCZEOPBWOSEJS-NEPJUHHUSA-N 0 1 354.376 3.268 20 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Cc1nc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n[nH]1 ZINC000291827007 499079999 /nfs/dbraw/zinc/07/99/99/499079999.db2.gz ZRRBEFGXRPKSBK-HNNXBMFYSA-N 0 1 355.467 3.448 20 10 FGCDMN COCc1nccc([C@H]2CCCN(Cc3cc(F)cc(C(C)=O)c3O)C2)n1 ZINC000372680257 499159715 /nfs/dbraw/zinc/15/97/15/499159715.db2.gz HENVTGVOYDUPHD-AWEZNQCLSA-N 0 1 373.428 3.050 20 10 FGCDMN CCC(=O)N1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000368618049 499314190 /nfs/dbraw/zinc/31/41/90/499314190.db2.gz TXKVAGHHTONPBZ-UHFFFAOYSA-N 0 1 368.477 3.416 20 10 FGCDMN COCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCCc2cccnc21 ZINC000373448027 499470197 /nfs/dbraw/zinc/47/01/97/499470197.db2.gz INNZPKVPLZHVOP-INIZCTEOSA-N 0 1 356.422 3.042 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)c1O ZINC000375875065 499564034 /nfs/dbraw/zinc/56/40/34/499564034.db2.gz SDNRDADAFCXFJA-MSOLQXFVSA-N 0 1 364.873 3.224 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)c1[O-] ZINC000375875065 499564035 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20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1O ZINC000825946865 601151129 /nfs/dbraw/zinc/15/11/29/601151129.db2.gz ULKGPVIXDKEZJI-UHFFFAOYSA-N 0 1 367.323 3.099 20 10 FGCDMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)cn1 ZINC000833044618 601300844 /nfs/dbraw/zinc/30/08/44/601300844.db2.gz AIBXWCBXZZJWMA-AWEZNQCLSA-N 0 1 365.433 3.042 20 10 FGCDMN CCc1oc(C(=O)[O-])cc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830363745 601417721 /nfs/dbraw/zinc/41/77/21/601417721.db2.gz XIZFKNYULOYWFF-INIZCTEOSA-N 0 1 359.422 3.427 20 10 FGCDMN C[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1C(=O)[O-] ZINC000828457102 601814286 /nfs/dbraw/zinc/81/42/86/601814286.db2.gz RHEWIBJGLCZQKU-IINYFYTJSA-N 0 1 364.239 3.460 20 10 FGCDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(Br)c1O ZINC000833193588 604468104 /nfs/dbraw/zinc/46/81/04/604468104.db2.gz DITRBKRDVFEVCP-HNNXBMFYSA-N 0 1 362.223 3.166 20 10 FGCDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(Br)c1O ZINC000833193588 604468109 /nfs/dbraw/zinc/46/81/09/604468109.db2.gz DITRBKRDVFEVCP-HNNXBMFYSA-N 0 1 362.223 3.166 20 10 FGCDMN CC(C)[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000826935962 604967398 /nfs/dbraw/zinc/96/73/98/604967398.db2.gz QEDWACGFOAEUKP-UHFFFAOYSA-N 0 1 369.465 3.300 20 10 FGCDMN CC1([C@@H]2CCC[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)OCCO1 ZINC000833563476 605350911 /nfs/dbraw/zinc/35/09/11/605350911.db2.gz GCWYZDDKCIASQM-OAHLLOKOSA-N 0 1 371.433 3.219 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C2CC2)[nH]n1 ZINC000075416690 700210346 /nfs/dbraw/zinc/21/03/46/700210346.db2.gz HOIVVLZBYPIXBD-UHFFFAOYSA-N 0 1 364.243 3.418 20 10 FGCDMN Oc1ccc(Br)cc1CN1CCCN(c2nccs2)CC1 ZINC000092482229 700436484 /nfs/dbraw/zinc/43/64/84/700436484.db2.gz YFBVALOEMKXXKJ-UHFFFAOYSA-N 0 1 368.300 3.324 20 10 FGCDMN NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000122071243 700684017 /nfs/dbraw/zinc/68/40/17/700684017.db2.gz MANAJXXIEWJNCG-UHFFFAOYSA-N 0 1 363.255 3.032 20 10 FGCDMN NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000122071243 700684019 /nfs/dbraw/zinc/68/40/19/700684019.db2.gz MANAJXXIEWJNCG-UHFFFAOYSA-N 0 1 363.255 3.032 20 10 FGCDMN CCOc1ccc(O)c(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179990973 705723556 /nfs/dbraw/zinc/72/35/56/705723556.db2.gz KYFHAWCUZMPQHR-UHFFFAOYSA-N 0 1 350.459 3.234 20 10 FGCDMN CCOc1cccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000255727323 713705627 /nfs/dbraw/zinc/70/56/27/713705627.db2.gz ZIXJHBQINCPGDD-FOWTUZBSSA-N 0 1 362.520 3.381 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Br)ccc1[O-] ZINC000779065797 724386762 /nfs/dbraw/zinc/38/67/62/724386762.db2.gz PUBAEYRYEBZPKE-OCCSQVGLSA-N 0 1 350.260 3.407 20 10 FGCDMN Cc1cc(Br)cc(CN2CCC(O)(C(F)F)CC2)c1O ZINC000779208079 724399922 /nfs/dbraw/zinc/39/99/22/724399922.db2.gz AVJUJPPETVFXLH-UHFFFAOYSA-N 0 1 350.203 3.055 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000781907742 724610864 /nfs/dbraw/zinc/61/08/64/724610864.db2.gz IOGDVQIIYKHLKW-KBPBESRZSA-N 0 1 358.301 3.169 20 10 FGCDMN O=C(C[NH2+]Cc1cc(Br)ccc1[O-])Nc1cccc(F)c1 ZINC000725850333 722424859 /nfs/dbraw/zinc/42/48/59/722424859.db2.gz ZJJRTUYKFFMHGY-UHFFFAOYSA-N 0 1 353.191 3.022 20 10 FGCDMN COc1c(C)cnc(C[NH2+]Cc2cc(Br)ccc2[O-])c1C ZINC000725850243 722424868 /nfs/dbraw/zinc/42/48/68/722424868.db2.gz UIEKONGOTZAECM-UHFFFAOYSA-N 0 1 351.244 3.465 20 10 FGCDMN Cc1cc(NC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000731852064 722478502 /nfs/dbraw/zinc/47/85/02/722478502.db2.gz KMNAXXUUSDGBFM-AWEZNQCLSA-N 0 1 364.833 3.128 20 10 FGCDMN O=[S@](CCN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000732203215 722482397 /nfs/dbraw/zinc/48/23/97/722482397.db2.gz PZPBUWBOCDPSGS-IQGLISFBSA-N 0 1 359.491 3.181 20 10 FGCDMN C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Br)ccc1[O-] ZINC000756478979 722965391 /nfs/dbraw/zinc/96/53/91/722965391.db2.gz KJXUENHJRTUJPU-LLVKDONJSA-N 0 1 364.243 3.229 20 10 FGCDMN C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000756553312 722966743 /nfs/dbraw/zinc/96/67/43/722966743.db2.gz GEDDBFXUUJCDTL-GFCCVEGCSA-N 0 1 369.870 3.179 20 10 FGCDMN C[C@@H]([NH2+]CCCNc1ncccn1)c1cc(Br)ccc1[O-] ZINC000756641030 722968157 /nfs/dbraw/zinc/96/81/57/722968157.db2.gz FKMPKBJJXZOHQA-LLVKDONJSA-N 0 1 351.248 3.098 20 10 FGCDMN COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000757799916 722979923 /nfs/dbraw/zinc/97/99/23/722979923.db2.gz LJBONBIJINYHAN-XJKSGUPXSA-N 0 1 356.260 3.366 20 10 FGCDMN O=C([O-])[C@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCc2c1cccc2F ZINC000789902040 723083059 /nfs/dbraw/zinc/08/30/59/723083059.db2.gz ILYHZDYEJIZZPI-KRWDZBQOSA-N 0 1 353.752 3.340 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000790410696 723136621 /nfs/dbraw/zinc/13/66/21/723136621.db2.gz ANBODMLBPRKITK-UHFFFAOYSA-N 0 1 372.786 3.153 20 10 FGCDMN CCOc1cccc(CN(CC)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000793604510 723453417 /nfs/dbraw/zinc/45/34/17/723453417.db2.gz LNWDYBOGHJCFNM-UHFFFAOYSA-N 0 1 350.459 3.232 20 10 FGCDMN C[NH+](C)Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765730421 723536056 /nfs/dbraw/zinc/53/60/56/723536056.db2.gz VDGBXQFAXWAEMH-UHFFFAOYSA-N 0 1 363.255 3.146 20 10 FGCDMN Cc1cnc(N2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)s1 ZINC000769456267 723686041 /nfs/dbraw/zinc/68/60/41/723686041.db2.gz HVFRHFBVXDQRDX-UHFFFAOYSA-N 0 1 368.846 3.041 20 10 FGCDMN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773108289 723776844 /nfs/dbraw/zinc/77/68/44/723776844.db2.gz VWCAGGMEZJEQHO-RYUDHWBXSA-N 0 1 366.811 3.141 20 10 FGCDMN CC[C@@H]([NH2+]CCN1CCC(OC)CC1)c1cc(Br)ccc1[O-] ZINC000775512419 723997148 /nfs/dbraw/zinc/99/71/48/723997148.db2.gz OTYCACXMBUSWEN-MRXNPFEDSA-N 0 1 371.319 3.306 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775534130 723998919 /nfs/dbraw/zinc/99/89/19/723998919.db2.gz BXNJGHQGMZHIFB-XFBWCDHKSA-N 0 1 362.861 3.014 20 10 FGCDMN OC1CCN(c2ccc(CNCc3scnc3C3CC3)cc2F)CC1 ZINC000785435517 724911938 /nfs/dbraw/zinc/91/19/38/724911938.db2.gz KHNOPTGAOGHHPC-UHFFFAOYSA-N 0 1 361.486 3.411 20 10 FGCDMN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1[O-] ZINC000806149892 725118287 /nfs/dbraw/zinc/11/82/87/725118287.db2.gz YOMHESPXCQLLET-RCCFBDPRSA-N 0 1 352.906 3.464 20 10 FGCDMN CCn1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1=O ZINC000806225444 725120990 /nfs/dbraw/zinc/12/09/90/725120990.db2.gz OIVGATXLQQFKHF-UHFFFAOYSA-N 0 1 356.209 3.202 20 10 FGCDMN Cn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C(F)(F)F)n1 ZINC000807835479 725171346 /nfs/dbraw/zinc/17/13/46/725171346.db2.gz GHWTVXGBZVRPHL-UHFFFAOYSA-N 0 1 368.142 3.381 20 10 FGCDMN Cc1cc2nc(C)cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)n2n1 ZINC000807836108 725171377 /nfs/dbraw/zinc/17/13/77/725171377.db2.gz PCWTUWZHPSKQOH-UHFFFAOYSA-N 0 1 365.220 3.289 20 10 FGCDMN COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837469 725171811 /nfs/dbraw/zinc/17/18/11/725171811.db2.gz QZEDEDMAFFHDHX-LBPRGKRZSA-N 0 1 363.241 3.086 20 10 FGCDMN Cn1nc2c(c1C(=O)NCc1cc(Cl)cc(Cl)c1O)CCCC2 ZINC000807839345 725172110 /nfs/dbraw/zinc/17/21/10/725172110.db2.gz CFRGRSZKJARIAM-UHFFFAOYSA-N 0 1 354.237 3.241 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000807840195 725172268 /nfs/dbraw/zinc/17/22/68/725172268.db2.gz UFDDIVYVTVZHDL-AWEZNQCLSA-N 0 1 356.180 3.458 20 10 FGCDMN CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808715010 725214537 /nfs/dbraw/zinc/21/45/37/725214537.db2.gz RJDJBMWPTILSFF-CYBMUJFWSA-N 0 1 374.934 3.066 20 10 FGCDMN CCN(CC)c1ccc(CN2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000809696782 725259763 /nfs/dbraw/zinc/25/97/63/725259763.db2.gz QSMAIMLVEVDNSR-QGZVFWFLSA-N 0 1 358.404 3.460 20 10 FGCDMN COc1cc(C)c(C[NH2+]Cc2cc(Br)ccc2[O-])c(C)n1 ZINC000809713332 725261636 /nfs/dbraw/zinc/26/16/36/725261636.db2.gz MTDIQZCUETWYJK-UHFFFAOYSA-N 0 1 351.244 3.465 20 10 FGCDMN CC(C)NC(=O)OC[C@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000809720202 725262434 /nfs/dbraw/zinc/26/24/34/725262434.db2.gz AAWVZPUDDOWMIG-MRXNPFEDSA-N 0 1 351.466 3.381 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000814169689 726944298 /nfs/dbraw/zinc/94/42/98/726944298.db2.gz LIYOQKWDWKBOOE-UHFFFAOYSA-N 0 1 373.254 3.084 20 10 FGCDMN CC1(C)CN=C(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)S1 ZINC000816493394 727167633 /nfs/dbraw/zinc/16/76/33/727167633.db2.gz ZKAJTCGZRQWSCW-UHFFFAOYSA-N 0 1 357.882 3.184 20 10 FGCDMN O=C1CN(Cc2cc(Cl)c(F)cc2O)CCN1Cc1cccc(F)c1 ZINC000816514831 727170027 /nfs/dbraw/zinc/17/00/27/727170027.db2.gz IQYDBZGIPFFSGK-UHFFFAOYSA-N 0 1 366.795 3.168 20 10 FGCDMN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000816603448 727179509 /nfs/dbraw/zinc/17/95/09/727179509.db2.gz IDTRCPKFYCVLOU-OAHLLOKOSA-N 0 1 353.825 3.109 20 10 FGCDMN CCN(CC)c1ccc(CN2CCC(OC(=O)N(C)C)CC2)cc1F ZINC000816654929 727185559 /nfs/dbraw/zinc/18/55/59/727185559.db2.gz IUKBBTMMEXPNLB-UHFFFAOYSA-N 0 1 351.466 3.335 20 10 FGCDMN Oc1c(Br)cc(Br)cc1CN1CC[C@@H](F)C1 ZINC000824571660 729348098 /nfs/dbraw/zinc/34/80/98/729348098.db2.gz PGQZNAGJTYNLJA-SECBINFHSA-N 0 1 353.029 3.461 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000825113506 729371278 /nfs/dbraw/zinc/37/12/78/729371278.db2.gz FQLWHEZIUQIACM-UHFFFAOYSA-N 0 1 362.271 3.308 20 10 FGCDMN CC(C)OCCN1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825331964 729378996 /nfs/dbraw/zinc/37/89/96/729378996.db2.gz UELPDKNNCDFRRX-UHFFFAOYSA-N 0 1 371.319 3.134 20 10 FGCDMN COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1O ZINC000825922437 729399678 /nfs/dbraw/zinc/39/96/78/729399678.db2.gz QYLNLWVPENXURH-AWEZNQCLSA-N 0 1 365.857 3.009 20 10 FGCDMN O=C(CSC1CC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827095860 729424199 /nfs/dbraw/zinc/42/41/99/729424199.db2.gz MKZIIFOOVMVFHY-CQSZACIVSA-N 0 1 354.903 3.022 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c(Cl)c1 ZINC000840874670 730186632 /nfs/dbraw/zinc/18/66/32/730186632.db2.gz AKYFLHWGKCMINA-CQSZACIVSA-N 0 1 361.873 3.264 20 10 FGCDMN C[C@H](NCCS(=O)(=O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000840881252 730187422 /nfs/dbraw/zinc/18/74/22/730187422.db2.gz HSOULSNYWWXUIP-INIZCTEOSA-N 0 1 350.528 3.295 20 10 FGCDMN COc1ccc(C[C@H](CO)C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1O ZINC000840948683 730195731 /nfs/dbraw/zinc/19/57/31/730195731.db2.gz JNUSDQRZMRQIDJ-AWEZNQCLSA-N 0 1 365.857 3.009 20 10 FGCDMN COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841743156 730269916 /nfs/dbraw/zinc/26/99/16/730269916.db2.gz DJKDBCUVKXFOSQ-APPDUMDISA-N 0 1 351.830 3.447 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(Cl)cc1[O-] ZINC000841744701 730269948 /nfs/dbraw/zinc/26/99/48/730269948.db2.gz RRKXNHGDJHOROF-LLVKDONJSA-N 0 1 354.859 3.268 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)cc1[O-] ZINC000841764864 730271959 /nfs/dbraw/zinc/27/19/59/730271959.db2.gz SHAXEEQNABCJCZ-OCCSQVGLSA-N 0 1 359.857 3.074 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)ccc1[O-] ZINC000842883577 730553642 /nfs/dbraw/zinc/55/36/42/730553642.db2.gz DWKXDMXEKAUPKU-GWCFXTLKSA-N 0 1 355.276 3.205 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C/c3cc4cnccc4o3)SC2=S)CC1 ZINC000844269476 730696261 /nfs/dbraw/zinc/69/62/61/730696261.db2.gz SLOMOZSBHWIERQ-DHDCSXOGSA-N 0 1 359.476 3.123 20 10 FGCDMN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000852700493 731622264 /nfs/dbraw/zinc/62/22/64/731622264.db2.gz GQILIRNRZXRJIC-KRWDZBQOSA-N 0 1 359.857 3.119 20 10 FGCDMN CCCCN(Cc1ccccc1O)C(=O)c1cc(Br)[nH]n1 ZINC000854374834 731822594 /nfs/dbraw/zinc/82/25/94/731822594.db2.gz YWKWVWTZKZNNHY-UHFFFAOYSA-N 0 1 352.232 3.320 20 10 FGCDMN C[C@](O)(C[NH2+]Cc1c([O-])cccc1Br)c1ccc(F)cc1F ZINC000858137116 732184623 /nfs/dbraw/zinc/18/46/23/732184623.db2.gz GNGLRWJNODVRGA-INIZCTEOSA-N 0 1 372.209 3.430 20 10 FGCDMN Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2c([O-])cccc2Br)cn1 ZINC000858191946 732190983 /nfs/dbraw/zinc/19/09/83/732190983.db2.gz FRKABGARJSPBAV-CZUORRHYSA-N 0 1 364.287 3.389 20 10 FGCDMN COc1ccc(CNCc2cc(Br)cnc2OC)cc1C ZINC000858248953 732196780 /nfs/dbraw/zinc/19/67/80/732196780.db2.gz GRVCWJFHZNAGJH-UHFFFAOYSA-N 0 1 351.244 3.460 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000858526468 732223854 /nfs/dbraw/zinc/22/38/54/732223854.db2.gz CGLUIBJSFRKWMU-GXTWGEPZSA-N 0 1 370.877 3.332 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@]1(C2CCCC2)CCNC1=O ZINC000861729142 732724297 /nfs/dbraw/zinc/72/42/97/732724297.db2.gz TURPYLKMEJAYJF-KRWDZBQOSA-N 0 1 371.264 3.012 20 10 FGCDMN Cc1noc(C2(C)CC[NH+](Cc3c([O-])cccc3Br)CC2)n1 ZINC000862308341 732807213 /nfs/dbraw/zinc/80/72/13/732807213.db2.gz CWVVHLNMAUMOKG-UHFFFAOYSA-N 0 1 366.259 3.400 20 10 FGCDMN COC(=O)CC1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000862366137 732817151 /nfs/dbraw/zinc/81/71/51/732817151.db2.gz LLULHDGNOKWQKK-UHFFFAOYSA-N 0 1 356.260 3.366 20 10 FGCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@@H](O)Cc1ccccc1 ZINC000862377288 732819600 /nfs/dbraw/zinc/81/96/00/732819600.db2.gz PBNPMTXXEXMDIW-AWEZNQCLSA-N 0 1 350.256 3.190 20 10 FGCDMN C[N@H+](Cc1c([O-])cccc1Br)C[C@@H](O)Cc1ccccc1 ZINC000862377288 732819601 /nfs/dbraw/zinc/81/96/01/732819601.db2.gz PBNPMTXXEXMDIW-AWEZNQCLSA-N 0 1 350.256 3.190 20 10 FGCDMN CN(C)c1cc(F)c(CN2CCC[C@H](N3CCCC3=O)CC2)cc1F ZINC000862395293 732823774 /nfs/dbraw/zinc/82/37/74/732823774.db2.gz ZIDQHVHHBJMESE-HNNXBMFYSA-N 0 1 351.441 3.008 20 10 FGCDMN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322271 732945024 /nfs/dbraw/zinc/94/50/24/732945024.db2.gz QQQLTWZOKAFCCH-BJHJDKERSA-N 0 1 363.255 3.004 20 10 FGCDMN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322271 732945027 /nfs/dbraw/zinc/94/50/27/732945027.db2.gz QQQLTWZOKAFCCH-BJHJDKERSA-N 0 1 363.255 3.004 20 10 FGCDMN CCO[C@H]1COCC[C@@H]1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000868358067 733586158 /nfs/dbraw/zinc/58/61/58/733586158.db2.gz LEQMSUFWZBJXMR-YGRLFVJLSA-N 0 1 362.253 3.147 20 10 FGCDMN CCO[C@H]1COCC[C@H]1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000868358064 733586220 /nfs/dbraw/zinc/58/62/20/733586220.db2.gz LEQMSUFWZBJXMR-HZMBPMFUSA-N 0 1 362.253 3.147 20 10 FGCDMN CCCOc1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1C ZINC000873075763 735717569 /nfs/dbraw/zinc/71/75/69/735717569.db2.gz DPUQEUULOYJHOE-UHFFFAOYSA-N 0 1 359.491 3.403 20 10 FGCDMN C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000886801078 739302979 /nfs/dbraw/zinc/30/29/79/739302979.db2.gz HODLSSIEINJPMD-WKEGUHRASA-N 0 1 360.145 3.258 20 10 FGCDMN Cn1ncc(C(=O)OC(C)(C)C)c1CNCCCSc1nccs1 ZINC000877061909 736182462 /nfs/dbraw/zinc/18/24/62/736182462.db2.gz UUJWWYZOHTYEFD-UHFFFAOYSA-N 0 1 368.528 3.104 20 10 FGCDMN Cc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(O)c1 ZINC000877465282 736222317 /nfs/dbraw/zinc/22/23/17/736222317.db2.gz RHAJTKCYFZMDBB-UHFFFAOYSA-N 0 1 372.416 3.283 20 10 FGCDMN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822732 736730750 /nfs/dbraw/zinc/73/07/50/736730750.db2.gz HTOJZRMEPANIOQ-PBHICJAKSA-N 0 1 358.404 3.065 20 10 FGCDMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)c1 ZINC000882798301 737493475 /nfs/dbraw/zinc/49/34/75/737493475.db2.gz DGEHIXIUPNWJHD-UHFFFAOYSA-N 0 1 351.424 3.334 20 10 FGCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000893965787 742219873 /nfs/dbraw/zinc/21/98/73/742219873.db2.gz ASITUQSCWQGKHF-JTQLQIEISA-N 0 1 354.223 3.397 20 10 FGCDMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)cn1 ZINC000894083045 742236480 /nfs/dbraw/zinc/23/64/80/742236480.db2.gz AWXLWLQRBMXBDB-NSHDSACASA-N 0 1 368.250 3.092 20 10 FGCDMN CO[C@H](C)c1noc(CN(C)Cc2cc(Br)cc(F)c2O)n1 ZINC000894086703 742237075 /nfs/dbraw/zinc/23/70/75/742237075.db2.gz ZQJLQCDXDRNXDG-MRVPVSSYSA-N 0 1 374.210 3.016 20 10 FGCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894781139 742332375 /nfs/dbraw/zinc/33/23/75/742332375.db2.gz OFEVMBVBTJMYTO-LBPRGKRZSA-N 0 1 373.266 3.032 20 10 FGCDMN COc1nn(C)cc1CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000898024972 742735701 /nfs/dbraw/zinc/73/57/01/742735701.db2.gz BDVYRSCJGXQLNE-UHFFFAOYSA-N 0 1 356.495 3.416 20 10 FGCDMN CC[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000898268171 742766314 /nfs/dbraw/zinc/76/63/14/742766314.db2.gz WQWSUJNMUSAVAP-AWEZNQCLSA-N 0 1 355.360 3.379 20 10 FGCDMN COc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(C)c1 ZINC000899260498 742900747 /nfs/dbraw/zinc/90/07/47/742900747.db2.gz ITKFJWOCSZVCMI-LFIBNONCSA-N 0 1 362.520 3.299 20 10 FGCDMN C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(Br)ccc1[O-] ZINC000903347233 743839314 /nfs/dbraw/zinc/83/93/14/743839314.db2.gz MDEDIACNQRQRRB-LBPRGKRZSA-N 0 1 370.287 3.127 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H](c1ncccn1)C1CC1 ZINC000925470195 759494429 /nfs/dbraw/zinc/49/44/29/759494429.db2.gz CAJKFNQRQKWADS-CYBMUJFWSA-N 0 1 367.236 3.440 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000925785620 759537177 /nfs/dbraw/zinc/53/71/77/759537177.db2.gz VCCAMOLJRWWJPK-DTWKUNHWSA-N 0 1 367.209 3.189 20 10 FGCDMN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000089636705 494334954 /nfs/dbraw/zinc/33/49/54/494334954.db2.gz ZWBPVFUCXSEPPF-CABCVRRESA-N 0 1 356.507 3.290 20 10 FGCDMN COC(=O)c1ccc([C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000091530986 494612500 /nfs/dbraw/zinc/61/25/00/494612500.db2.gz VXVUOGVVECXCRU-OAHLLOKOSA-N 0 1 358.438 3.096 20 10 FGCDMN Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000091832132 494697907 /nfs/dbraw/zinc/69/79/07/494697907.db2.gz SPHDCDCBOIZTIU-LLVKDONJSA-N 0 1 352.232 3.226 20 10 FGCDMN Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000091832132 494697912 /nfs/dbraw/zinc/69/79/12/494697912.db2.gz SPHDCDCBOIZTIU-LLVKDONJSA-N 0 1 352.232 3.226 20 10 FGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1[O-] ZINC000179569554 495644591 /nfs/dbraw/zinc/64/45/91/495644591.db2.gz ZBXUXZYPJFAVAH-LJQANCHMSA-N 0 1 370.424 3.187 20 10 FGCDMN CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185866030 495757132 /nfs/dbraw/zinc/75/71/32/495757132.db2.gz GZQJZQXHLSHIAH-JTQLQIEISA-N 0 1 368.275 3.310 20 10 FGCDMN COC(=O)c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000162627377 496386251 /nfs/dbraw/zinc/38/62/51/496386251.db2.gz MLMSJOSSGNKRKT-UHFFFAOYSA-N 0 1 360.479 3.003 20 10 FGCDMN CCOCc1cc(CN[C@H](C[S@](C)=O)c2ccccc2)ccc1OC ZINC000184937170 496592249 /nfs/dbraw/zinc/59/22/49/496592249.db2.gz IDXRUIPAMCHRNC-CLOONOSVSA-N 0 1 361.507 3.441 20 10 FGCDMN CCN1CCN(c2ccc(CNc3cc(Cl)nc(C)n3)cc2F)CC1 ZINC000301211568 498002304 /nfs/dbraw/zinc/00/23/04/498002304.db2.gz WWANQYDUIHWZTB-UHFFFAOYSA-N 0 1 363.868 3.332 20 10 FGCDMN COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000290009129 498391948 /nfs/dbraw/zinc/39/19/48/498391948.db2.gz ZKBZPVNEXUVBDN-CQSZACIVSA-N 0 1 360.429 3.227 20 10 FGCDMN CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)ccc1[O-] ZINC000287563545 498797454 /nfs/dbraw/zinc/79/74/54/498797454.db2.gz QHFKACXNYAXJSP-CQSZACIVSA-N 0 1 358.276 3.127 20 10 FGCDMN Cc1nc(CN2CCN(Cc3cc(Cl)c(F)cc3O)CC2)oc1C ZINC000295484298 499031496 /nfs/dbraw/zinc/03/14/96/499031496.db2.gz XGZGQCRFRFQTQM-UHFFFAOYSA-N 0 1 353.825 3.107 20 10 FGCDMN Cc1ccc(O)c([C@H](C)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 ZINC000369900936 499148551 /nfs/dbraw/zinc/14/85/51/499148551.db2.gz DFPNBIOHPBTUNJ-RYUDHWBXSA-N 0 1 354.376 3.268 20 10 FGCDMN CCOc1cccc(C[N@@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1O ZINC000372409366 499431078 /nfs/dbraw/zinc/43/10/78/499431078.db2.gz DYZNNBHQKGFUKZ-UHFFFAOYSA-N 0 1 359.470 3.184 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCn2cccc2)C1 ZINC000444242629 500822922 /nfs/dbraw/zinc/82/29/22/500822922.db2.gz HHFOCAWPLXGZQV-UHFFFAOYSA-N 0 1 364.493 3.026 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cccn2C)C1 ZINC000435811585 501032613 /nfs/dbraw/zinc/03/26/13/501032613.db2.gz XPMCNVOAIAEJLJ-UHFFFAOYSA-N 0 1 364.493 3.063 20 10 FGCDMN CC[C@@H]1OCC[C@H]1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000458301721 501416162 /nfs/dbraw/zinc/41/61/62/501416162.db2.gz YAXLNCPJCYBCML-NQIIRXRSSA-N 0 1 369.509 3.092 20 10 FGCDMN Cc1c2ccccc2n(C)c1CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000475194518 502095516 /nfs/dbraw/zinc/09/55/16/502095516.db2.gz FQGGEUBBEJEMNZ-OAHLLOKOSA-N 0 1 356.491 3.439 20 10 FGCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(CC(C)C)CC3)ccc21 ZINC000484595056 502679935 /nfs/dbraw/zinc/67/99/35/502679935.db2.gz VNAGSFDRUVIIBP-UHFFFAOYSA-N 0 1 371.525 3.318 20 10 FGCDMN CC[C@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(C)(C)O ZINC000512803459 503635346 /nfs/dbraw/zinc/63/53/46/503635346.db2.gz WQIHWXAZYUJCNJ-FQEVSTJZSA-N 0 1 371.525 3.074 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000528014121 504040507 /nfs/dbraw/zinc/04/05/07/504040507.db2.gz FOPZJYZUMIIGTP-LBPRGKRZSA-N 0 1 369.303 3.454 20 10 FGCDMN C[C@@]1(Br)C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000529392346 504652575 /nfs/dbraw/zinc/65/25/75/504652575.db2.gz NZHXIYYATWMBEM-PRHODGIISA-N 0 1 353.043 3.489 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CSC[C@@H]2C)C1 ZINC000552669029 505530211 /nfs/dbraw/zinc/53/02/11/505530211.db2.gz YMXRNNXEBDTTFF-YJBOKZPZSA-N 0 1 371.550 3.276 20 10 FGCDMN CC[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Br)ccc1[O-] ZINC000076118535 700224675 /nfs/dbraw/zinc/22/46/75/700224675.db2.gz PJRJJEDUPZWSCS-UHFFFAOYSA-N 0 1 363.255 3.276 20 10 FGCDMN CC[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Br)ccc1[O-] ZINC000076118535 700224678 /nfs/dbraw/zinc/22/46/78/700224678.db2.gz PJRJJEDUPZWSCS-UHFFFAOYSA-N 0 1 363.255 3.276 20 10 FGCDMN COc1ccc(N2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1F ZINC000084866414 700364040 /nfs/dbraw/zinc/36/40/40/700364040.db2.gz HHDIFQGHUUGYBX-GOSISDBHSA-N 0 1 364.848 3.343 20 10 FGCDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092704244 700440217 /nfs/dbraw/zinc/44/02/17/700440217.db2.gz PXJCNXBDULDZEF-GFCCVEGCSA-N 0 1 371.821 3.053 20 10 FGCDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092704244 700440220 /nfs/dbraw/zinc/44/02/20/700440220.db2.gz PXJCNXBDULDZEF-GFCCVEGCSA-N 0 1 371.821 3.053 20 10 FGCDMN C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000157770945 705163340 /nfs/dbraw/zinc/16/33/40/705163340.db2.gz FLHWDCDHSJTEOF-MRXNPFEDSA-N 0 1 354.219 3.291 20 10 FGCDMN CC[C@H]([NH2+]CCN1CCSCC1)c1cc(Br)ccc1[O-] ZINC000229554540 713575872 /nfs/dbraw/zinc/57/58/72/713575872.db2.gz IDGGBWBQNOTADV-AWEZNQCLSA-N 0 1 359.333 3.244 20 10 FGCDMN CC[C@@H]([NH2+]CCN1CCSCC1)c1cc(Br)ccc1[O-] ZINC000229554529 713575881 /nfs/dbraw/zinc/57/58/81/713575881.db2.gz IDGGBWBQNOTADV-CQSZACIVSA-N 0 1 359.333 3.244 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)CC1 ZINC000255585087 713701046 /nfs/dbraw/zinc/70/10/46/713701046.db2.gz NODDJBJNCCSCEW-RIYZIHGNSA-N 0 1 354.447 3.260 20 10 FGCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc2ccccc21 ZINC000779461127 724415078 /nfs/dbraw/zinc/41/50/78/724415078.db2.gz WAMZUDCCBNMGPB-UHFFFAOYSA-N 0 1 357.387 3.133 20 10 FGCDMN COc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000804878367 724560515 /nfs/dbraw/zinc/56/05/15/724560515.db2.gz WBUZBRVJNUZECQ-UHFFFAOYSA-N 0 1 356.209 3.102 20 10 FGCDMN Cc1cc(C)nc(N2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000783602897 724770811 /nfs/dbraw/zinc/77/08/11/724770811.db2.gz UOLGANOHHBQQCQ-UHFFFAOYSA-N 0 1 367.280 3.428 20 10 FGCDMN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(Br)c2O)c1 ZINC000730285342 722466796 /nfs/dbraw/zinc/46/67/96/722466796.db2.gz MWCTUHDOBFGMAK-VIFPVBQESA-N 0 1 366.211 3.360 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000731449232 722475398 /nfs/dbraw/zinc/47/53/98/722475398.db2.gz XQNSNOZGPKSTOJ-UHFFFAOYSA-N 0 1 373.254 3.084 20 10 FGCDMN O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000732048903 722481012 /nfs/dbraw/zinc/48/10/12/722481012.db2.gz LLWXWBBADVFXNR-CQSZACIVSA-N 0 1 362.817 3.425 20 10 FGCDMN O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000732048903 722481013 /nfs/dbraw/zinc/48/10/13/722481013.db2.gz LLWXWBBADVFXNR-CQSZACIVSA-N 0 1 362.817 3.425 20 10 FGCDMN COc1ccc(Br)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000747616488 722652637 /nfs/dbraw/zinc/65/26/37/722652637.db2.gz BTIFYFKXVMGOJX-UHFFFAOYSA-N 0 1 372.240 3.273 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)ccc1[O-] ZINC000756583869 722967151 /nfs/dbraw/zinc/96/71/51/722967151.db2.gz RIDIQDFNFLTGED-SCRDCRAPSA-N 0 1 369.303 3.452 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Br)cc1[O-] ZINC000756787894 722970099 /nfs/dbraw/zinc/97/00/99/722970099.db2.gz SUDKDEWWYUPSKR-YPMHNXCESA-N 0 1 356.260 3.491 20 10 FGCDMN COc1cc(Cl)cc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000761191851 723131641 /nfs/dbraw/zinc/13/16/41/723131641.db2.gz XYZHQGWZCVSTHR-AWEZNQCLSA-N 0 1 370.877 3.495 20 10 FGCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000792702620 723358382 /nfs/dbraw/zinc/35/83/82/723358382.db2.gz BJECZJIQSHSBBL-UHFFFAOYSA-N 0 1 368.436 3.440 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000793365784 723430977 /nfs/dbraw/zinc/43/09/77/723430977.db2.gz OFBSPGKNWPNEHO-QGZVFWFLSA-N 0 1 370.287 3.233 20 10 FGCDMN OCCN(Cc1cccc(Br)c1O)Cc1cccnc1Cl ZINC000793366149 723431000 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COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1O ZINC000797820414 723866597 /nfs/dbraw/zinc/86/65/97/723866597.db2.gz WQOZISYLSIHFFS-UHFFFAOYSA-N 0 1 372.786 3.072 20 10 FGCDMN Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000798960817 723980578 /nfs/dbraw/zinc/98/05/78/723980578.db2.gz MNFXUGZWCZTPRE-CQSZACIVSA-N 0 1 350.806 3.415 20 10 FGCDMN Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000798960817 723980582 /nfs/dbraw/zinc/98/05/82/723980582.db2.gz MNFXUGZWCZTPRE-CQSZACIVSA-N 0 1 350.806 3.415 20 10 FGCDMN CC[C@@H]([NH2+]CCc1nncn1CC)c1cc(Br)ccc1[O-] ZINC000775524920 723998203 /nfs/dbraw/zinc/99/82/03/723998203.db2.gz UTONIPBOHHCHGR-CYBMUJFWSA-N 0 1 353.264 3.050 20 10 FGCDMN O=C(c1ccc(F)cc1)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775649361 724016221 /nfs/dbraw/zinc/01/62/21/724016221.db2.gz OOPYDGLHKXPMLP-UHFFFAOYSA-N 0 1 366.795 3.282 20 10 FGCDMN CC(C)COC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775669394 724020340 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FGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1C(F)F ZINC000801174466 724274483 /nfs/dbraw/zinc/27/44/83/724274483.db2.gz ONFIZHLBSBFGAP-RDBSUJKOSA-N 0 1 358.816 3.027 20 10 FGCDMN CC1(C)CC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449140 725028716 /nfs/dbraw/zinc/02/87/16/725028716.db2.gz JFHSOVVUBALPFF-DOTOQJQBSA-N 0 1 366.889 3.084 20 10 FGCDMN Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806652378 725139452 /nfs/dbraw/zinc/13/94/52/725139452.db2.gz WBRVBYSSWIYEMH-SNVBAGLBSA-N 0 1 371.268 3.339 20 10 FGCDMN O=C(NCc1ccc(CO)c(F)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000806654691 725139561 /nfs/dbraw/zinc/13/95/61/725139561.db2.gz WSHKFWKJNPITGU-UHFFFAOYSA-N 0 1 373.211 3.330 20 10 FGCDMN C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837134 725171525 /nfs/dbraw/zinc/17/15/25/725171525.db2.gz CHLJRUBRCVRVID-QMMMGPOBSA-N 0 1 363.241 3.228 20 10 FGCDMN CC(C)c1n[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000807837885 725171716 /nfs/dbraw/zinc/17/17/16/725171716.db2.gz FAXDRBFJJLWKDT-UHFFFAOYSA-N 0 1 373.196 3.384 20 10 FGCDMN CN(C)C(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807838095 725171848 /nfs/dbraw/zinc/17/18/48/725171848.db2.gz IKUHEPMTYUENDZ-UHFFFAOYSA-N 0 1 367.232 3.331 20 10 FGCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809695422 725259520 /nfs/dbraw/zinc/25/95/20/725259520.db2.gz KZELEWFTZQNMMK-ZDUSSCGKSA-N 0 1 355.715 3.112 20 10 FGCDMN CCc1nn(C)c(Cl)c1CNCc1cc(Br)ccc1O ZINC000809713554 725261588 /nfs/dbraw/zinc/26/15/88/725261588.db2.gz SSULIPFSSQQESY-UHFFFAOYSA-N 0 1 358.667 3.394 20 10 FGCDMN [NH3+]CCN(Cc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000809736548 725264046 /nfs/dbraw/zinc/26/40/46/725264046.db2.gz ZLXYAHDISIHMGB-UHFFFAOYSA-N 0 1 366.215 3.028 20 10 FGCDMN CC[C@@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223336 725297791 /nfs/dbraw/zinc/29/77/91/725297791.db2.gz LABHSZMVSXVERH-ZWNOBZJWSA-N 0 1 353.406 3.275 20 10 FGCDMN COc1cc(Cl)cc(CN2CCCC[C@H]2COC(=O)NC2CC2)c1O ZINC000811511680 725371481 /nfs/dbraw/zinc/37/14/81/725371481.db2.gz QPXCUHWWXADDFC-HNNXBMFYSA-N 0 1 368.861 3.297 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811520458 725372319 /nfs/dbraw/zinc/37/23/19/725372319.db2.gz PFPRDFTUWTYLGS-GFCCVEGCSA-N 0 1 356.651 3.452 20 10 FGCDMN [O-]c1ccc(Cl)c(F)c1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000812778937 726810542 /nfs/dbraw/zinc/81/05/42/726810542.db2.gz ROJCEXDTXMQBNX-AWEZNQCLSA-N 0 1 350.821 3.363 20 10 FGCDMN [O-]c1ccc(Cl)c(F)c1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000812778937 726810543 /nfs/dbraw/zinc/81/05/43/726810543.db2.gz ROJCEXDTXMQBNX-AWEZNQCLSA-N 0 1 350.821 3.363 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000812883718 726820394 /nfs/dbraw/zinc/82/03/94/726820394.db2.gz YCXSXNLRMOTZLI-HXUWFJFHSA-N 0 1 359.853 3.384 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](O)CCc1ccccc1 ZINC000813685581 726905249 /nfs/dbraw/zinc/90/52/49/726905249.db2.gz LMAOBMPRVYZPHH-HNNXBMFYSA-N 0 1 354.233 3.309 20 10 FGCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000816590358 727178323 /nfs/dbraw/zinc/17/83/23/727178323.db2.gz XZOPPRAHSWGYKU-QGZVFWFLSA-N 0 1 362.832 3.418 20 10 FGCDMN CCOC(=O)[C@@H](CCOC(C)(C)C)NCc1cc(Cl)c(F)cc1O ZINC000816589546 727178335 /nfs/dbraw/zinc/17/83/35/727178335.db2.gz BIOQHXDOYNCGRB-CQSZACIVSA-N 0 1 361.841 3.411 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)ccc1[O-] ZINC000817585725 727268277 /nfs/dbraw/zinc/26/82/77/727268277.db2.gz HHBNRKMHJLOUQB-HUBLWGQQSA-N 0 1 369.303 3.487 20 10 FGCDMN CCOC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2[O-])[nH]c1C ZINC000824377236 729334599 /nfs/dbraw/zinc/33/45/99/729334599.db2.gz ZDZPJQOYUHTUKZ-UHFFFAOYSA-N 0 1 367.243 3.258 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000824445721 729339169 /nfs/dbraw/zinc/33/91/69/729339169.db2.gz LNVFAGUZFXGCKU-CYBMUJFWSA-N 0 1 353.304 3.379 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2CC[N@H+](C3CC3)C[C@H](C)C2)c1 ZINC000824445721 729339172 /nfs/dbraw/zinc/33/91/72/729339172.db2.gz LNVFAGUZFXGCKU-CYBMUJFWSA-N 0 1 353.304 3.379 20 10 FGCDMN O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824725786 729356743 /nfs/dbraw/zinc/35/67/43/729356743.db2.gz KOLNSGYGCBWBQX-OAHLLOKOSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCCN1[C@@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000824725786 729356744 /nfs/dbraw/zinc/35/67/44/729356744.db2.gz KOLNSGYGCBWBQX-OAHLLOKOSA-N 0 1 367.287 3.132 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCN1CCc2sccc2C1 ZINC000825131450 729372268 /nfs/dbraw/zinc/37/22/68/729372268.db2.gz OGWPGEKVCRWGHG-UHFFFAOYSA-N 0 1 367.312 3.364 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCn2cc(Br)ccc2=O)cc1Cl ZINC000826030416 729402898 /nfs/dbraw/zinc/40/28/98/729402898.db2.gz YTIRZJMIOHWMCW-UHFFFAOYSA-N 0 1 371.662 3.068 20 10 FGCDMN Oc1c(F)cc(Cl)cc1CN1CCc2nnc(N3CCCC3)cc2C1 ZINC000828100568 729439813 /nfs/dbraw/zinc/43/98/13/729439813.db2.gz PDIBEAZVWCSASE-UHFFFAOYSA-N 0 1 362.836 3.133 20 10 FGCDMN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C1=CC(=O)CS1 ZINC000831221434 729626336 /nfs/dbraw/zinc/62/63/36/729626336.db2.gz YVALLZLSFPJWBV-OAHLLOKOSA-N 0 1 360.479 3.286 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cc(Cl)ccc1[O-] ZINC000840796958 730175028 /nfs/dbraw/zinc/17/50/28/730175028.db2.gz ICBVKLFYYBHDKW-MLGOLLRUSA-N 0 1 355.862 3.112 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c(Cl)c1 ZINC000840897967 730189227 /nfs/dbraw/zinc/18/92/27/730189227.db2.gz WKPPBWSYZRSCEJ-UHFFFAOYSA-N 0 1 352.906 3.479 20 10 FGCDMN CCS(=O)(=O)c1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1 ZINC000840938160 730193873 /nfs/dbraw/zinc/19/38/73/730193873.db2.gz ZWUDKDDMGRSCSM-UHFFFAOYSA-N 0 1 353.871 3.437 20 10 FGCDMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2c(O)cccc2OC)c1 ZINC000840956549 730196839 /nfs/dbraw/zinc/19/68/39/730196839.db2.gz WYCLYIVEKBFEME-UHFFFAOYSA-N 0 1 369.870 3.138 20 10 FGCDMN COc1cc(C)ccc1/C=C1/SC(=S)N(C2CCN(C)CC2)C1=O ZINC000841495927 730249273 /nfs/dbraw/zinc/24/92/73/730249273.db2.gz LZWSWNQCISQUSB-LFIBNONCSA-N 0 1 362.520 3.299 20 10 FGCDMN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744984 730269961 /nfs/dbraw/zinc/26/99/61/730269961.db2.gz LVVQLJPLIRIPER-RYUDHWBXSA-N 0 1 368.886 3.366 20 10 FGCDMN C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841753360 730270662 /nfs/dbraw/zinc/27/06/62/730270662.db2.gz SIAZWQBDXPFPFO-LBPRGKRZSA-N 0 1 365.836 3.267 20 10 FGCDMN Oc1c(Br)cccc1CN1CCc2cc(Cl)nnc2C1 ZINC000843418934 730618479 /nfs/dbraw/zinc/61/84/79/730618479.db2.gz RLTWNFHCNCLXCE-UHFFFAOYSA-N 0 1 354.635 3.156 20 10 FGCDMN Cc1cc(NS(=O)(=O)c2cccc3c2OCCCO3)c(C)c(C)c1O ZINC000844662646 730748212 /nfs/dbraw/zinc/74/82/12/730748212.db2.gz MRYMQZCQJMWOOK-UHFFFAOYSA-N 0 1 363.435 3.280 20 10 FGCDMN C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056656 730924327 /nfs/dbraw/zinc/92/43/27/730924327.db2.gz WCSWQQXPGHJEAI-GFCCVEGCSA-N 0 1 358.825 3.210 20 10 FGCDMN C[C@H]1CN(c2ccc(CNCc3cnc(Cl)n3C)cc2F)C[C@H](C)O1 ZINC000848530016 731176329 /nfs/dbraw/zinc/17/63/29/731176329.db2.gz BBKRDTQRFIOOJQ-STQMWFEESA-N 0 1 366.868 3.116 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930254 731222478 /nfs/dbraw/zinc/22/24/78/731222478.db2.gz PMXFQOKNVYXVBD-HNNXBMFYSA-N 0 1 359.297 3.386 20 10 FGCDMN CCOCc1cc(CNCc2cnc(C(F)(F)F)nc2)ccc1OC ZINC000850345018 731344816 /nfs/dbraw/zinc/34/48/16/731344816.db2.gz GCXVCRWXNLHKOY-UHFFFAOYSA-N 0 1 355.360 3.330 20 10 FGCDMN OC1CCN(c2ccc(CNCc3cc(F)c(F)cc3F)cc2)CC1 ZINC000850405838 731353336 /nfs/dbraw/zinc/35/33/36/731353336.db2.gz HAZNSAJNIUPKHJ-UHFFFAOYSA-N 0 1 350.384 3.355 20 10 FGCDMN OC1CCN(c2ccc(CNCc3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000850405976 731353472 /nfs/dbraw/zinc/35/34/72/731353472.db2.gz MLVMOQACSXLWHB-UHFFFAOYSA-N 0 1 350.384 3.355 20 10 FGCDMN COc1ccc(OC)c(CNCc2c(O)cccc2Br)c1 ZINC000858090805 732179197 /nfs/dbraw/zinc/17/91/97/732179197.db2.gz LSAPVKSVNZATGJ-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN CC(C)(C)C(=O)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858098089 732180281 /nfs/dbraw/zinc/18/02/81/732180281.db2.gz GLRHWMLSGZVCSE-UHFFFAOYSA-N 0 1 369.303 3.281 20 10 FGCDMN COc1nc(C)cc(C)c1CNCc1c(O)cccc1Br ZINC000858122894 732182938 /nfs/dbraw/zinc/18/29/38/732182938.db2.gz UBTFVRRDOXDYNV-UHFFFAOYSA-N 0 1 351.244 3.465 20 10 FGCDMN C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1[O-] ZINC000858563894 732227458 /nfs/dbraw/zinc/22/74/58/732227458.db2.gz ADLHVVWHOIVTNN-NSHDSACASA-N 0 1 362.813 3.106 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000862348912 732812998 /nfs/dbraw/zinc/81/29/98/732812998.db2.gz YMNNOJIUOHFBOW-ZANVPECISA-N 0 1 368.193 3.290 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000862348912 732813003 /nfs/dbraw/zinc/81/30/03/732813003.db2.gz YMNNOJIUOHFBOW-ZANVPECISA-N 0 1 368.193 3.290 20 10 FGCDMN Oc1cccc(Br)c1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000862348912 732813008 /nfs/dbraw/zinc/81/30/08/732813008.db2.gz YMNNOJIUOHFBOW-ZANVPECISA-N 0 1 368.193 3.290 20 10 FGCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@H](O)Cc1ccccc1 ZINC000862377290 732819763 /nfs/dbraw/zinc/81/97/63/732819763.db2.gz PBNPMTXXEXMDIW-CQSZACIVSA-N 0 1 350.256 3.190 20 10 FGCDMN C[N@H+](Cc1c([O-])cccc1Br)C[C@H](O)Cc1ccccc1 ZINC000862377290 732819768 /nfs/dbraw/zinc/81/97/68/732819768.db2.gz PBNPMTXXEXMDIW-CQSZACIVSA-N 0 1 350.256 3.190 20 10 FGCDMN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1cc(Cl)cc(F)c1O ZINC000862474878 732839175 /nfs/dbraw/zinc/83/91/75/732839175.db2.gz RRZMXCKEQPKMKU-MRXNPFEDSA-N 0 1 367.804 3.067 20 10 FGCDMN C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000862526567 732843355 /nfs/dbraw/zinc/84/33/55/732843355.db2.gz XHBCOMCKGHGAKT-UHFFFAOYSA-N 0 1 358.866 3.019 20 10 FGCDMN C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000862526567 732843359 /nfs/dbraw/zinc/84/33/59/732843359.db2.gz XHBCOMCKGHGAKT-UHFFFAOYSA-N 0 1 358.866 3.019 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](OC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000872258818 735610741 /nfs/dbraw/zinc/61/07/41/735610741.db2.gz BPRDKEHAXMHGFJ-HNNXBMFYSA-N 0 1 350.415 3.233 20 10 FGCDMN CN(C)c1ccc(CNC(=O)[C@H](N)c2cccc(C(F)(F)F)c2)cc1 ZINC000876713811 736135834 /nfs/dbraw/zinc/13/58/34/736135834.db2.gz TZIVBUQLELPRMX-MRXNPFEDSA-N 0 1 351.372 3.088 20 10 FGCDMN CCS(=O)(=O)Nc1ccc(NCc2ccc(F)c(F)c2O)cc1C ZINC000876847431 736152928 /nfs/dbraw/zinc/15/29/28/736152928.db2.gz KVIYSSNTMDCUMD-UHFFFAOYSA-N 0 1 356.394 3.353 20 10 FGCDMN CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc(F)c(F)c1O ZINC000877172712 736195094 /nfs/dbraw/zinc/19/50/94/736195094.db2.gz SXGIVCGVDJTABJ-UHFFFAOYSA-N 0 1 350.365 3.383 20 10 FGCDMN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000877612025 736692936 /nfs/dbraw/zinc/69/29/36/736692936.db2.gz BEHTVBMOPHDVNT-UHFFFAOYSA-N 0 1 362.817 3.107 20 10 FGCDMN CCS(=O)(=O)N(C)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000877634133 736697071 /nfs/dbraw/zinc/69/70/71/736697071.db2.gz WTKJOCKJGVVPCC-UHFFFAOYSA-N 0 1 356.394 3.068 20 10 FGCDMN CO[C@@H]1C[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)Cc3cccnc3N2C1 ZINC000877687899 736705200 /nfs/dbraw/zinc/70/52/00/736705200.db2.gz NFAMACDFUJXEJN-HUUCEWRRSA-N 0 1 359.857 3.050 20 10 FGCDMN CO[C@@H]1C[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)Cc3cccnc3N2C1 ZINC000877687899 736705205 /nfs/dbraw/zinc/70/52/05/736705205.db2.gz NFAMACDFUJXEJN-HUUCEWRRSA-N 0 1 359.857 3.050 20 10 FGCDMN CO[C@@H]1C[C@@H]2CN(Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687899 736705209 /nfs/dbraw/zinc/70/52/09/736705209.db2.gz NFAMACDFUJXEJN-HUUCEWRRSA-N 0 1 359.857 3.050 20 10 FGCDMN O=C(c1cc(NCc2cc(Cl)cc(Cl)c2O)ccn1)N1CCCC1 ZINC000882373398 737448160 /nfs/dbraw/zinc/44/81/60/737448160.db2.gz SWLYIXVNTODLNB-UHFFFAOYSA-N 0 1 366.248 3.364 20 10 FGCDMN Cc1csc([C@@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000886750891 739291505 /nfs/dbraw/zinc/29/15/05/739291505.db2.gz AUODOQRAGOMGEK-CQSZACIVSA-N 0 1 358.511 3.004 20 10 FGCDMN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(Br)cc2[O-])c1 ZINC000894501712 742292620 /nfs/dbraw/zinc/29/26/20/742292620.db2.gz FNVFKRSIJGCQFV-SECBINFHSA-N 0 1 353.216 3.115 20 10 FGCDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894572067 742300832 /nfs/dbraw/zinc/30/08/32/742300832.db2.gz CZJQJBDQXDPYRX-NSHDSACASA-N 0 1 368.250 3.407 20 10 FGCDMN CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000895714574 742445925 /nfs/dbraw/zinc/44/59/25/742445925.db2.gz VFKYHARFYUHWIY-DOOKAGJSSA-N 0 1 355.356 3.479 20 10 FGCDMN Cc1cc(C2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)n[nH]1 ZINC000897300496 742666191 /nfs/dbraw/zinc/66/61/91/742666191.db2.gz LPJYARBMBPKIAW-UHFFFAOYSA-N 0 1 357.435 3.364 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898722946 742826054 /nfs/dbraw/zinc/82/60/54/742826054.db2.gz AHDMHXJUMLGCQX-LLVKDONJSA-N 0 1 356.651 3.109 20 10 FGCDMN CC(C)[C@H](N[C@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000903063939 743800869 /nfs/dbraw/zinc/80/08/69/743800869.db2.gz JLOHQIJCSHVYMJ-YGRLFVJLSA-N 0 1 353.264 3.331 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000922535475 758945530 /nfs/dbraw/zinc/94/55/30/758945530.db2.gz RVKOKPDVGNJHPK-PPUGGXLSSA-N 0 1 362.267 3.337 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Br)c(F)cc1[O-] ZINC000925778159 759535379 /nfs/dbraw/zinc/53/53/79/759535379.db2.gz RRHHCCFFZQXPTK-DTWKUNHWSA-N 0 1 367.209 3.189 20 10 FGCDMN Cc1nnc(SCCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)[nH]1 ZINC000073476480 494375252 /nfs/dbraw/zinc/37/52/52/494375252.db2.gz LAQVMLVAKIMQQA-UHFFFAOYSA-N 0 1 373.526 3.148 20 10 FGCDMN CCN1CCN(c2ccc(CNc3cc(C)c([N+](=O)[O-])cn3)cc2F)CC1 ZINC000074748753 494590704 /nfs/dbraw/zinc/59/07/04/494590704.db2.gz RAYPKBDHJKQJFK-UHFFFAOYSA-N 0 1 373.432 3.191 20 10 FGCDMN CC1CCN(c2ccc(CNc3cc(-n4cccn4)nc(N)n3)cc2)CC1 ZINC000092896655 494784207 /nfs/dbraw/zinc/78/42/07/494784207.db2.gz LNQROKWVVDVCMA-UHFFFAOYSA-N 0 1 363.469 3.093 20 10 FGCDMN CCOc1ccc(O)c(CN2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000093385922 494883076 /nfs/dbraw/zinc/88/30/76/494883076.db2.gz HQNMKYJUKZTCTL-UHFFFAOYSA-N 0 1 360.479 3.201 20 10 FGCDMN CN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000111236320 495052982 /nfs/dbraw/zinc/05/29/82/495052982.db2.gz JDVBPZVFGSETLX-UHFFFAOYSA-N 0 1 364.392 3.084 20 10 FGCDMN Cc1ncsc1C(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000123339130 495116589 /nfs/dbraw/zinc/11/65/89/495116589.db2.gz RCFSAEREMPUUCY-UHFFFAOYSA-N 0 1 365.886 3.205 20 10 FGCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2n1C ZINC000124277783 495261849 /nfs/dbraw/zinc/26/18/49/495261849.db2.gz WRZLCHKSOOWXFG-HNNXBMFYSA-N 0 1 368.456 3.400 20 10 FGCDMN CCO[C@H](C)c1nc(CN2CCN(Cc3ccccc3O)CC2)cs1 ZINC000179581386 495648884 /nfs/dbraw/zinc/64/88/84/495648884.db2.gz ONCGNJNIZFVKOD-OAHLLOKOSA-N 0 1 361.511 3.264 20 10 FGCDMN C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000186855808 496182277 /nfs/dbraw/zinc/18/22/77/496182277.db2.gz OAFAOMLLEOOXSG-LLVKDONJSA-N 0 1 364.305 3.020 20 10 FGCDMN CCNC(=O)COc1ccc(N[C@@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000187841104 496591126 /nfs/dbraw/zinc/59/11/26/496591126.db2.gz GUWAUNKKAURFMZ-NSHDSACASA-N 0 1 350.365 3.358 20 10 FGCDMN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Br)cc1[O-] ZINC000185062036 496643042 /nfs/dbraw/zinc/64/30/42/496643042.db2.gz XGOOMXHCOVYSFS-GFCCVEGCSA-N 0 1 355.276 3.208 20 10 FGCDMN Cc1[nH]ncc1CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266273065 497292145 /nfs/dbraw/zinc/29/21/45/497292145.db2.gz CKYIEUFCVCFLFL-UHFFFAOYSA-N 0 1 357.502 3.337 20 10 FGCDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1 ZINC000277079931 497736064 /nfs/dbraw/zinc/73/60/64/497736064.db2.gz CIXHGCYOEPKYQB-HUUCEWRRSA-N 0 1 370.501 3.479 20 10 FGCDMN COCCN(Cc1ccc(N2CCC(OC)CC2)cc1)Cc1ccccn1 ZINC000296032272 497897890 /nfs/dbraw/zinc/89/78/90/497897890.db2.gz SBLDEBKPAGDJBR-UHFFFAOYSA-N 0 1 369.509 3.345 20 10 FGCDMN Cc1cc(Br)cc(CN[C@H](c2nncn2C)C(C)C)c1O ZINC000289532681 498182302 /nfs/dbraw/zinc/18/23/02/498182302.db2.gz PZEFZVYIZHXUSM-ZDUSSCGKSA-N 0 1 353.264 3.079 20 10 FGCDMN COc1cc(Cl)cc(CN2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000360345162 498268011 /nfs/dbraw/zinc/26/80/11/498268011.db2.gz PSAUNFGKSUZTNI-HNNXBMFYSA-N 0 1 352.862 3.031 20 10 FGCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1OC ZINC000282027156 498363303 /nfs/dbraw/zinc/36/33/03/498363303.db2.gz WIKIHQYTUHGQSD-OAHLLOKOSA-N 0 1 371.481 3.322 20 10 FGCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000283798889 498984714 /nfs/dbraw/zinc/98/47/14/498984714.db2.gz GTBPDRIAPIYHJC-UHFFFAOYSA-N 0 1 359.398 3.086 20 10 FGCDMN COc1ccc(F)cc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O ZINC000291562193 498991824 /nfs/dbraw/zinc/99/18/24/498991824.db2.gz NTXJOIFRYCGYCF-GDNBJRDFSA-N 0 1 366.483 3.130 20 10 FGCDMN Cc1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)c(C)n1-c1ccccn1 ZINC000366601524 498998055 /nfs/dbraw/zinc/99/80/55/498998055.db2.gz RIEKEGXNDDJGPT-KRWDZBQOSA-N 0 1 364.453 3.283 20 10 FGCDMN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C2 ZINC000363871026 499033422 /nfs/dbraw/zinc/03/34/22/499033422.db2.gz ZIXWEVCUDAXDCF-IINYFYTJSA-N 0 1 362.271 3.461 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000370373586 499214324 /nfs/dbraw/zinc/21/43/24/499214324.db2.gz JXSMKOWVROMULG-DOTOQJQBSA-N 0 1 356.441 3.273 20 10 FGCDMN COc1ccc(N2CCC(N(C)Cc3cnc([C@@H](C)O)s3)CC2)cc1 ZINC000368016730 499255230 /nfs/dbraw/zinc/25/52/30/499255230.db2.gz LDDLMHLUZICLEL-CQSZACIVSA-N 0 1 361.511 3.306 20 10 FGCDMN C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1cc(Cl)ccc1[O-] ZINC000368324496 499285450 /nfs/dbraw/zinc/28/54/50/499285450.db2.gz QUZWFPRIDWPHLR-LLVKDONJSA-N 0 1 350.871 3.343 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](n3ccnc3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000373207994 499457452 /nfs/dbraw/zinc/45/74/52/499457452.db2.gz FXKWPBMHNLUEBY-OAHLLOKOSA-N 0 1 374.441 3.466 20 10 FGCDMN CCn1ccnc1[C@@H](NCc1ccc2c(c1)CCN2C)C1CCOCC1 ZINC000375245128 499498700 /nfs/dbraw/zinc/49/87/00/499498700.db2.gz PBFSGXWWQIWLRZ-FQEVSTJZSA-N 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CCOC(=O)C[C@@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805239688 725058192 /nfs/dbraw/zinc/05/81/92/725058192.db2.gz NGKVMONJXCKEAM-SECBINFHSA-N 0 1 363.241 3.088 20 10 FGCDMN Cc1nnc([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000805282136 725061659 /nfs/dbraw/zinc/06/16/59/725061659.db2.gz KVLFJXYKDJVKFY-LURJTMIESA-N 0 1 361.254 3.419 20 10 FGCDMN COc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000807181647 725155806 /nfs/dbraw/zinc/15/58/06/725155806.db2.gz SMZRNWYDRVAXAZ-UHFFFAOYSA-N 0 1 356.209 3.102 20 10 FGCDMN Cc1cscc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511882 725162130 /nfs/dbraw/zinc/16/21/30/725162130.db2.gz ZKSHRJRSHLFGFA-UHFFFAOYSA-N 0 1 359.234 3.324 20 10 FGCDMN CC(C)c1noc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807836793 725171541 /nfs/dbraw/zinc/17/15/41/725171541.db2.gz PFUXTJFJFNMXFX-UHFFFAOYSA-N 0 1 358.225 3.454 20 10 FGCDMN CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839408 725172047 /nfs/dbraw/zinc/17/20/47/725172047.db2.gz NDLWDVVQXXXVGR-AWEZNQCLSA-N 0 1 373.280 3.496 20 10 FGCDMN O=C(CCNC(=O)c1cccs1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838729 725172094 /nfs/dbraw/zinc/17/20/94/725172094.db2.gz QFJZVZNUYDZIIN-UHFFFAOYSA-N 0 1 373.261 3.197 20 10 FGCDMN Cc1cc(=O)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1C1CC1 ZINC000807839568 725172118 /nfs/dbraw/zinc/17/21/18/725172118.db2.gz OZGHWWMOCCVNII-UHFFFAOYSA-N 0 1 367.232 3.434 20 10 FGCDMN Cc1nc2c(nccc2C(=O)NCc2cc(Cl)cc(Cl)c2O)[nH]1 ZINC000807839226 725172123 /nfs/dbraw/zinc/17/21/23/725172123.db2.gz AHYALPCVSYFQCD-UHFFFAOYSA-N 0 1 351.193 3.209 20 10 FGCDMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(C)c1 ZINC000808114420 725184427 /nfs/dbraw/zinc/18/44/27/725184427.db2.gz XNVJJTSSISWJJH-UHFFFAOYSA-N 0 1 373.789 3.081 20 10 FGCDMN C[C@H](C[S@](C)=O)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639631 725255075 /nfs/dbraw/zinc/25/50/75/725255075.db2.gz MOGNNCPAKBKYID-NSYGIPOTSA-N 0 1 356.535 3.448 20 10 FGCDMN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809691521 725259096 /nfs/dbraw/zinc/25/90/96/725259096.db2.gz NSWKDISLLPUFJD-ZDUSSCGKSA-N 0 1 371.275 3.255 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000809704358 725260610 /nfs/dbraw/zinc/26/06/10/725260610.db2.gz APXAZJGDEZGTFH-ZDUSSCGKSA-N 0 1 368.193 3.434 20 10 FGCDMN CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(Br)c1[O-] ZINC000809713764 725261820 /nfs/dbraw/zinc/26/18/20/725261820.db2.gz LEWAMQSIQVGEIY-UHFFFAOYSA-N 0 1 369.303 3.379 20 10 FGCDMN COc1ccc(O)c(CN2CCN(c3nccc4sccc43)CC2)c1 ZINC000809787325 725268753 /nfs/dbraw/zinc/26/87/53/725268753.db2.gz YZILZXIHRLTQQJ-UHFFFAOYSA-N 0 1 355.463 3.333 20 10 FGCDMN CC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239370 725299099 /nfs/dbraw/zinc/29/90/99/725299099.db2.gz ZMJWTXWWBBFYJG-OAHLLOKOSA-N 0 1 358.404 3.317 20 10 FGCDMN CCc1nsc(N2CCN(Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816515004 727170147 /nfs/dbraw/zinc/17/01/47/727170147.db2.gz MMSZAGQVSIGEDQ-UHFFFAOYSA-N 0 1 354.479 3.282 20 10 FGCDMN CC(C)OCc1cc(NS(=O)(=O)c2cccc3c2OCC3)ccc1O ZINC000817356204 727242766 /nfs/dbraw/zinc/24/27/66/727242766.db2.gz HJWDMETXAKILIM-UHFFFAOYSA-N 0 1 363.435 3.053 20 10 FGCDMN CC(=O)c1cc(F)cc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1O ZINC000821306341 729074318 /nfs/dbraw/zinc/07/43/18/729074318.db2.gz XYNVHKUQFJRBOL-WMLDXEAASA-N 0 1 365.426 3.158 20 10 FGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1[O-] ZINC000821306341 729074321 /nfs/dbraw/zinc/07/43/21/729074321.db2.gz XYNVHKUQFJRBOL-WMLDXEAASA-N 0 1 365.426 3.158 20 10 FGCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@](C)(O)c1ccccc1 ZINC000822516506 729189510 /nfs/dbraw/zinc/18/95/10/729189510.db2.gz LPOLEFGVICGFGE-QGZVFWFLSA-N 0 1 350.256 3.494 20 10 FGCDMN CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)cc(F)c1O ZINC000822525355 729190307 /nfs/dbraw/zinc/19/03/07/729190307.db2.gz FEDUBILRFAMCHI-QGZVFWFLSA-N 0 1 362.832 3.248 20 10 FGCDMN Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824601631 729349642 /nfs/dbraw/zinc/34/96/42/729349642.db2.gz KYLZVUFLGOVMGA-GFCCVEGCSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824601631 729349644 /nfs/dbraw/zinc/34/96/44/729349644.db2.gz KYLZVUFLGOVMGA-GFCCVEGCSA-N 0 1 350.260 3.268 20 10 FGCDMN CC1(C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)OCCO1 ZINC000824789825 729359022 /nfs/dbraw/zinc/35/90/22/729359022.db2.gz RIDCOEIGUDQLSS-UHFFFAOYSA-N 0 1 356.260 3.130 20 10 FGCDMN CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000824913903 729364699 /nfs/dbraw/zinc/36/46/99/729364699.db2.gz IHQQYKJNPYCTDK-IBGZPJMESA-N 0 1 359.491 3.458 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000825179449 729373794 /nfs/dbraw/zinc/37/37/94/729373794.db2.gz WCKTWMLAIWUSNZ-UHFFFAOYSA-N 0 1 367.209 3.271 20 10 FGCDMN O=C(CC[NH2+]Cc1ccc(Br)cc1[O-])N1CCCCCC1 ZINC000825423174 729382799 /nfs/dbraw/zinc/38/27/99/729382799.db2.gz YLGYSXBWWJODJK-UHFFFAOYSA-N 0 1 355.276 3.037 20 10 FGCDMN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000825885626 729398366 /nfs/dbraw/zinc/39/83/66/729398366.db2.gz IQPRTONTKRRKBV-AWEZNQCLSA-N 0 1 351.752 3.281 20 10 FGCDMN COCCN(Cc1ccccn1)Cc1ccc(Br)cc1O ZINC000825903597 729399031 /nfs/dbraw/zinc/39/90/31/729399031.db2.gz MLSDWFMIEOQBBO-UHFFFAOYSA-N 0 1 351.244 3.198 20 10 FGCDMN COCC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1[O-] ZINC000825903597 729399033 /nfs/dbraw/zinc/39/90/33/729399033.db2.gz MLSDWFMIEOQBBO-UHFFFAOYSA-N 0 1 351.244 3.198 20 10 FGCDMN COCC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1[O-] ZINC000825903597 729399036 /nfs/dbraw/zinc/39/90/36/729399036.db2.gz MLSDWFMIEOQBBO-UHFFFAOYSA-N 0 1 351.244 3.198 20 10 FGCDMN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(Br)cc2[O-])cn1 ZINC000827329303 729428741 /nfs/dbraw/zinc/42/87/41/729428741.db2.gz XQGPXNYNQNACLK-XJKSGUPXSA-N 0 1 364.287 3.389 20 10 FGCDMN Cc1cc(CN2CCC[C@@H](S(C)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000829481473 729484081 /nfs/dbraw/zinc/48/40/81/729484081.db2.gz NOIASHDQBDAMOS-LJQANCHMSA-N 0 1 364.555 3.384 20 10 FGCDMN CN(C)c1ccc(/C=C\CNCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000835049626 729853045 /nfs/dbraw/zinc/85/30/45/729853045.db2.gz HEWQBPZYEBWKCJ-PLNGDYQASA-N 0 1 350.509 3.021 20 10 FGCDMN CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1cc(Br)ccc1[O-] ZINC000840888432 730188418 /nfs/dbraw/zinc/18/84/18/730188418.db2.gz JTVBLRLJQMBOPZ-ZDUSSCGKSA-N 0 1 364.305 3.020 20 10 FGCDMN CCOCCCNC(=O)C1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840910527 730189900 /nfs/dbraw/zinc/18/99/00/730189900.db2.gz OUOCMXFJFXKBTG-UHFFFAOYSA-N 0 1 368.905 3.109 20 10 FGCDMN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000840974255 730199447 /nfs/dbraw/zinc/19/94/47/730199447.db2.gz CSNJULXCAVMAFR-CQSZACIVSA-N 0 1 367.287 3.132 20 10 FGCDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000840975770 730200078 /nfs/dbraw/zinc/20/00/78/730200078.db2.gz RBRFXZUSQUGXDX-MRXNPFEDSA-N 0 1 356.260 3.238 20 10 FGCDMN C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841745917 730270066 /nfs/dbraw/zinc/27/00/66/730270066.db2.gz BUWYDUALWWGZCM-CMPLNLGQSA-N 0 1 357.784 3.414 20 10 FGCDMN C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841745919 730270127 /nfs/dbraw/zinc/27/01/27/730270127.db2.gz BUWYDUALWWGZCM-PWSUYJOCSA-N 0 1 357.784 3.414 20 10 FGCDMN C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(Br)cc1[O-] ZINC000841760282 730271578 /nfs/dbraw/zinc/27/15/78/730271578.db2.gz DOJPOGXXZGJAIC-GFCCVEGCSA-N 0 1 372.303 3.373 20 10 FGCDMN COc1cc(Br)cc([C@@H](C)NCc2cccnc2OC)c1O ZINC000848517035 731174266 /nfs/dbraw/zinc/17/42/66/731174266.db2.gz ACBKKEMZSHOQRB-SNVBAGLBSA-N 0 1 367.243 3.418 20 10 FGCDMN COc1c(O)c(C[N@H+]2C[C@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000848928953 731222217 /nfs/dbraw/zinc/22/22/17/731222217.db2.gz QKFHSPFTDZRJGW-ZDUSSCGKSA-N 0 1 350.415 3.233 20 10 FGCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000848928953 731222220 /nfs/dbraw/zinc/22/22/20/731222220.db2.gz QKFHSPFTDZRJGW-ZDUSSCGKSA-N 0 1 350.415 3.233 20 10 FGCDMN COc1cc(Br)cc([C@@H](C)N[C@@H](C)c2nccn2C)c1O ZINC000850572320 731374710 /nfs/dbraw/zinc/37/47/10/731374710.db2.gz JYQMFUBFRAQNHV-ZJUUUORDSA-N 0 1 354.248 3.309 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](OC)[C@@H]1CCOC1 ZINC000851792864 731499471 /nfs/dbraw/zinc/49/94/71/731499471.db2.gz QKHGQLIJOJDODD-MLGOLLRUSA-N 0 1 358.276 3.028 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](OC)[C@@H]1CCOC1 ZINC000851792864 731499472 /nfs/dbraw/zinc/49/94/72/731499472.db2.gz QKHGQLIJOJDODD-MLGOLLRUSA-N 0 1 358.276 3.028 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000858162379 732187644 /nfs/dbraw/zinc/18/76/44/732187644.db2.gz YYHNPSRWDQTLGN-AWEZNQCLSA-N 0 1 350.256 3.238 20 10 FGCDMN CCO[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241903 732480295 /nfs/dbraw/zinc/48/02/95/732480295.db2.gz MZTJELHLFTZIDH-WMZOPIPTSA-N 0 1 368.905 3.187 20 10 FGCDMN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862236724 732793565 /nfs/dbraw/zinc/79/35/65/732793565.db2.gz CDDMJRMAYCJYII-ZDUSSCGKSA-N 0 1 369.303 3.139 20 10 FGCDMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862236724 732793567 /nfs/dbraw/zinc/79/35/67/732793567.db2.gz CDDMJRMAYCJYII-ZDUSSCGKSA-N 0 1 369.303 3.139 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000862292539 732806020 /nfs/dbraw/zinc/80/60/20/732806020.db2.gz HRSVKBGEHSYMOJ-KRWDZBQOSA-N 0 1 366.230 3.387 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000862292539 732806022 /nfs/dbraw/zinc/80/60/22/732806022.db2.gz HRSVKBGEHSYMOJ-KRWDZBQOSA-N 0 1 366.230 3.387 20 10 FGCDMN CCOC(=O)c1cc(CN[C@H](C)c2cc(Br)ccc2O)on1 ZINC000866514962 733359174 /nfs/dbraw/zinc/35/91/74/733359174.db2.gz XMZMCXQAIREOPS-SECBINFHSA-N 0 1 369.215 3.170 20 10 FGCDMN CCOC(=O)c1cc(CN[C@H](C)c2ccc(Br)cc2O)on1 ZINC000866514887 733359572 /nfs/dbraw/zinc/35/95/72/733359572.db2.gz VGFDORQCDCHBFJ-SECBINFHSA-N 0 1 369.215 3.170 20 10 FGCDMN CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])on1 ZINC000866514887 733359578 /nfs/dbraw/zinc/35/95/78/733359578.db2.gz VGFDORQCDCHBFJ-SECBINFHSA-N 0 1 369.215 3.170 20 10 FGCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877167901 736194351 /nfs/dbraw/zinc/19/43/51/736194351.db2.gz MLKVDSBTYSOIBS-RYUDHWBXSA-N 0 1 356.413 3.406 20 10 FGCDMN Cc1csc([C@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000886750890 739291726 /nfs/dbraw/zinc/29/17/26/739291726.db2.gz AUODOQRAGOMGEK-AWEZNQCLSA-N 0 1 358.511 3.004 20 10 FGCDMN CC1([NH+]2CCC2)CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000896703731 742585860 /nfs/dbraw/zinc/58/58/60/742585860.db2.gz ACXIHDGXWFPBFZ-UHFFFAOYSA-N 0 1 351.878 3.252 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897430186 742678567 /nfs/dbraw/zinc/67/85/67/742678567.db2.gz RGJBSQCAQHLIGZ-UHFFFAOYSA-N 0 1 350.260 3.441 20 10 FGCDMN Oc1cccc(Br)c1CNCc1cnn(CC2CCC2)c1 ZINC000897430186 742678570 /nfs/dbraw/zinc/67/85/70/742678570.db2.gz RGJBSQCAQHLIGZ-UHFFFAOYSA-N 0 1 350.260 3.441 20 10 FGCDMN CC[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000898268172 742766351 /nfs/dbraw/zinc/76/63/51/742766351.db2.gz WQWSUJNMUSAVAP-CQSZACIVSA-N 0 1 355.360 3.379 20 10 FGCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccccn1 ZINC000069714832 494000588 /nfs/dbraw/zinc/00/05/88/494000588.db2.gz QMMUNVNMYKBIPD-UHFFFAOYSA-N 0 1 351.372 3.227 20 10 FGCDMN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000089636707 494335319 /nfs/dbraw/zinc/33/53/19/494335319.db2.gz ZWBPVFUCXSEPPF-GJZGRUSLSA-N 0 1 356.507 3.290 20 10 FGCDMN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000092707399 494721081 /nfs/dbraw/zinc/72/10/81/494721081.db2.gz HTTRGYOUCSNKLB-CYBMUJFWSA-N 0 1 369.303 3.283 20 10 FGCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000092707399 494721090 /nfs/dbraw/zinc/72/10/90/494721090.db2.gz HTTRGYOUCSNKLB-CYBMUJFWSA-N 0 1 369.303 3.283 20 10 FGCDMN C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000185649706 495662252 /nfs/dbraw/zinc/66/22/52/495662252.db2.gz ZPSWFWWONSLDDR-LBPRGKRZSA-N 0 1 353.871 3.441 20 10 FGCDMN CCCOc1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c(O)c1 ZINC000154966034 495787490 /nfs/dbraw/zinc/78/74/90/495787490.db2.gz IFJPKINQUWEQKT-GOSISDBHSA-N 0 1 363.479 3.057 20 10 FGCDMN COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000186128271 495865914 /nfs/dbraw/zinc/86/59/14/495865914.db2.gz AOKGNHNQVFZDMP-OAHLLOKOSA-N 0 1 356.466 3.224 20 10 FGCDMN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1CN1CCSCC1 ZINC000180723920 496118663 /nfs/dbraw/zinc/11/86/63/496118663.db2.gz ZBIHICWQNIXABD-SOFGYWHQSA-N 0 1 370.474 3.299 20 10 FGCDMN COc1cc(Cl)cc(CN2CCC(N3CCCCC3=O)CC2)c1O ZINC000184699864 496497926 /nfs/dbraw/zinc/49/79/26/496497926.db2.gz XZSZIHBQLNVWHD-UHFFFAOYSA-N 0 1 352.862 3.031 20 10 FGCDMN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187798565 496576134 /nfs/dbraw/zinc/57/61/34/496576134.db2.gz OOGWCWZAYQQBQT-ZLIFDBKOSA-N 0 1 354.441 3.089 20 10 FGCDMN C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(F)c(F)c1O ZINC000187841237 496591076 /nfs/dbraw/zinc/59/10/76/496591076.db2.gz DDOZABYOMZRCKE-NSHDSACASA-N 0 1 350.365 3.311 20 10 FGCDMN C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Br)ccc1[O-] ZINC000185061658 496642035 /nfs/dbraw/zinc/64/20/35/496642035.db2.gz VZXGRXSBNCAZMZ-LBPRGKRZSA-N 0 1 355.276 3.208 20 10 FGCDMN COc1ccc(O)c([C@H](C)NCc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273380867 496789160 /nfs/dbraw/zinc/78/91/60/496789160.db2.gz IFYJWHXLECKAQN-JTQLQIEISA-N 0 1 366.343 3.313 20 10 FGCDMN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000279132011 497343523 /nfs/dbraw/zinc/34/35/23/497343523.db2.gz RBBBPDADAJSEAE-SNVBAGLBSA-N 0 1 364.243 3.359 20 10 FGCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n[nH]1 ZINC000277256474 497789252 /nfs/dbraw/zinc/78/92/52/497789252.db2.gz QISPCNPLADNGAW-RYUDHWBXSA-N 0 1 362.453 3.084 20 10 FGCDMN CC(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280634953 497834852 /nfs/dbraw/zinc/83/48/52/497834852.db2.gz RKCXVYJHJHVFIV-CQSZACIVSA-N 0 1 357.420 3.120 20 10 FGCDMN CCN1CCN(c2ccc(CNc3nc(C)nc(C)c3C)cc2F)CC1 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353.825 3.006 20 10 FGCDMN COCCC[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000370343215 499211553 /nfs/dbraw/zinc/21/15/53/499211553.db2.gz NKWACRZPPGLBEJ-PBHICJAKSA-N 0 1 368.905 3.189 20 10 FGCDMN O=S1(=O)C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c2ccccc21 ZINC000370355712 499212453 /nfs/dbraw/zinc/21/24/53/499212453.db2.gz RUARPRFAKNZDHV-CYBMUJFWSA-N 0 1 358.246 3.317 20 10 FGCDMN CC[C@H](c1cccc(Cl)c1[O-])[N@@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367897381 499242971 /nfs/dbraw/zinc/24/29/71/499242971.db2.gz SQULMGVCXLUYKE-HUUCEWRRSA-N 0 1 350.850 3.182 20 10 FGCDMN CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)o1 ZINC000368672580 499320745 /nfs/dbraw/zinc/32/07/45/499320745.db2.gz GNBXWWNXIANURU-LJQANCHMSA-N 0 1 359.445 3.458 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCCc2c[nH]nc21 ZINC000376948416 499648394 /nfs/dbraw/zinc/64/83/94/499648394.db2.gz PFDXMODKAJCXJE-GFCCVEGCSA-N 0 1 355.225 3.299 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCO[C@H](C)C2)C1 ZINC000436036067 501061355 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O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1[O-] ZINC000092066426 700430980 /nfs/dbraw/zinc/43/09/80/700430980.db2.gz HAPBBFPQEYGCNE-MLGOLLRUSA-N 0 1 365.861 3.403 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1[O-] ZINC000092066426 700430983 /nfs/dbraw/zinc/43/09/83/700430983.db2.gz HAPBBFPQEYGCNE-MLGOLLRUSA-N 0 1 365.861 3.403 20 10 FGCDMN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000113343499 700570916 /nfs/dbraw/zinc/57/09/16/700570916.db2.gz SZIDTJIMOVQKNB-ZDUSSCGKSA-N 0 1 371.275 3.254 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12 ZINC000189422222 712793837 /nfs/dbraw/zinc/79/38/37/712793837.db2.gz SUSPQRJYXUDJCZ-UHFFFAOYSA-N 0 1 362.382 3.279 20 10 FGCDMN CCc1cc(O)ccc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000189425174 712793854 /nfs/dbraw/zinc/79/38/54/712793854.db2.gz RXELVRNABUVVNK-UHFFFAOYSA-N 0 1 351.472 3.225 20 10 FGCDMN CC(C)(C)OC(=O)NCC(F)(F)CNCc1cccc(Cl)c1O ZINC000230955416 713577739 /nfs/dbraw/zinc/57/77/39/713577739.db2.gz FBPMBKRGEGSKFI-UHFFFAOYSA-N 0 1 350.793 3.295 20 10 FGCDMN COc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000373974993 713889205 /nfs/dbraw/zinc/88/92/05/713889205.db2.gz GERFPRFLGNIKIU-ZJNRKIDTSA-N 0 1 355.862 3.213 20 10 FGCDMN CC(C)(C)CC(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000768252348 723651945 /nfs/dbraw/zinc/65/19/45/723651945.db2.gz KFGRWGTWHQXPJT-UHFFFAOYSA-N 0 1 369.303 3.235 20 10 FGCDMN Oc1ccc(Br)cc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000769381133 723683782 /nfs/dbraw/zinc/68/37/82/723683782.db2.gz MAEBLNFXDZFGFK-ZYHUDNBSSA-N 0 1 354.166 3.042 20 10 FGCDMN O=C(/C=C/c1ccc[nH]1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000783676457 724777985 /nfs/dbraw/zinc/77/79/85/724777985.db2.gz JTAOPYSVKVJWTH-JKNJVXJCSA-N 0 1 359.857 3.168 20 10 FGCDMN O=C(/C=C/c1ccc[nH]1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000783676457 724777989 /nfs/dbraw/zinc/77/79/89/724777989.db2.gz JTAOPYSVKVJWTH-JKNJVXJCSA-N 0 1 359.857 3.168 20 10 FGCDMN O=C(/C=C/c1ccc[nH]1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000783676457 724777992 /nfs/dbraw/zinc/77/79/92/724777992.db2.gz JTAOPYSVKVJWTH-JKNJVXJCSA-N 0 1 359.857 3.168 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000708091388 722412883 /nfs/dbraw/zinc/41/28/83/722412883.db2.gz UBSIJPJLRZXUIX-SNVBAGLBSA-N 0 1 359.695 3.382 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1[O-] ZINC000725847301 722424871 /nfs/dbraw/zinc/42/48/71/722424871.db2.gz ZDRBVWHXHIATOJ-NSHDSACASA-N 0 1 368.739 3.497 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1[O-] ZINC000725847301 722424873 /nfs/dbraw/zinc/42/48/73/722424873.db2.gz ZDRBVWHXHIATOJ-NSHDSACASA-N 0 1 368.739 3.497 20 10 FGCDMN CCN(CCc1cccs1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000746657502 722612589 /nfs/dbraw/zinc/61/25/89/722612589.db2.gz GCHPMGJLLPHVJF-UHFFFAOYSA-N 0 1 359.539 3.337 20 10 FGCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[O-] ZINC000750055383 722753030 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C[C@H](C(=O)NCc1cccc(Br)c1[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000765733198 723536404 /nfs/dbraw/zinc/53/64/04/723536404.db2.gz VGICGQTXXABITI-IJLUTSLNSA-N 0 1 355.276 3.032 20 10 FGCDMN CCCN(CCC)c1ccc(CN(C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000769468220 723686474 /nfs/dbraw/zinc/68/64/74/723686474.db2.gz DDJJJEZKNZWFMY-GOSISDBHSA-N 0 1 352.544 3.180 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(c3cccs3)CC2)c1[O-] ZINC000769503860 723687932 /nfs/dbraw/zinc/68/79/32/723687932.db2.gz PDHAREYCQVPBEU-UHFFFAOYSA-N 0 1 353.831 3.338 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CCSC2)C1 ZINC000774079329 723856948 /nfs/dbraw/zinc/85/69/48/723856948.db2.gz XCVCWJYWLMRXDR-OAHLLOKOSA-N 0 1 358.507 3.457 20 10 FGCDMN CS[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1[NH+]1CCCC1 ZINC000776487197 724150873 /nfs/dbraw/zinc/15/08/73/724150873.db2.gz WETPATWCDKRTEC-SJORKVTESA-N 0 1 368.930 3.260 20 10 FGCDMN CCCCN(CC(=O)NCC(=O)c1cccs1)Cc1ccccc1O ZINC000801595059 724318057 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ZINC000815633026 727087982 /nfs/dbraw/zinc/08/79/82/727087982.db2.gz DNNAZELCJNEHFS-VXGBXAGGSA-N 0 1 357.292 3.358 20 10 FGCDMN Cc1noc(C)c1CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816491625 727167739 /nfs/dbraw/zinc/16/77/39/727167739.db2.gz SVPDDJROQHMJJN-UHFFFAOYSA-N 0 1 353.825 3.107 20 10 FGCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])C[C@@H](C)O1 ZINC000816496571 727168039 /nfs/dbraw/zinc/16/80/39/727168039.db2.gz OTSMUMRHCCZCOX-NFAWXSAZSA-N 0 1 356.869 3.258 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000825358466 729380251 /nfs/dbraw/zinc/38/02/51/729380251.db2.gz SQSAAVWQBAOIOJ-UHFFFAOYSA-N 0 1 364.165 3.203 20 10 FGCDMN Cc1cc(O)c(CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1Cl ZINC000825525391 729386785 /nfs/dbraw/zinc/38/67/85/729386785.db2.gz DNYMNUGWYKAZAO-MRXNPFEDSA-N 0 1 353.871 3.230 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000829927069 729523597 /nfs/dbraw/zinc/52/35/97/729523597.db2.gz KWVOSYGBLPPIMB-UHFFFAOYSA-N 0 1 361.419 3.111 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C\c3cc4cccnc4o3)SC2=S)CC1 ZINC000841495881 730249265 /nfs/dbraw/zinc/24/92/65/730249265.db2.gz JZVJSKCHRDZGGS-GXDHUFHOSA-N 0 1 359.476 3.123 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1[O-] ZINC000841758540 730271341 /nfs/dbraw/zinc/27/13/41/730271341.db2.gz SSARJWNHFAIKQZ-RYUDHWBXSA-N 0 1 351.855 3.267 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846073627 730925572 /nfs/dbraw/zinc/92/55/72/730925572.db2.gz QNUKKAHVTAAJRC-IAQYHMDHSA-N 0 1 356.388 3.463 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1[O-] ZINC000849350066 731251562 /nfs/dbraw/zinc/25/15/62/731251562.db2.gz OPNWZUYUBPGAEU-HZPDHXFCSA-N 0 1 361.829 3.189 20 10 FGCDMN O=C(NCCC[NH2+]Cc1c([O-])cccc1Br)c1cccs1 ZINC000858136653 732184285 /nfs/dbraw/zinc/18/42/85/732184285.db2.gz XEUOTAAWGCMYPO-UHFFFAOYSA-N 0 1 369.284 3.126 20 10 FGCDMN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000858146038 732185816 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3.412 20 10 FGCDMN Cn1nccc1[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862229701 732790592 /nfs/dbraw/zinc/79/05/92/732790592.db2.gz JKTORTUMZOYOLR-GFCCVEGCSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862229701 732790594 /nfs/dbraw/zinc/79/05/94/732790594.db2.gz JKTORTUMZOYOLR-GFCCVEGCSA-N 0 1 350.260 3.268 20 10 FGCDMN Cc1nnc([C@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)o1 ZINC000862237674 732793207 /nfs/dbraw/zinc/79/32/07/732793207.db2.gz CIWRYHQGCZWEHK-NSHDSACASA-N 0 1 352.232 3.226 20 10 FGCDMN Cc1nnc([C@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)o1 ZINC000862237674 732793214 /nfs/dbraw/zinc/79/32/14/732793214.db2.gz CIWRYHQGCZWEHK-NSHDSACASA-N 0 1 352.232 3.226 20 10 FGCDMN Oc1cccc(Br)c1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000862242002 732796009 /nfs/dbraw/zinc/79/60/09/732796009.db2.gz RSKFDNQHYRJZJA-PWSUYJOCSA-N 0 1 354.166 3.042 20 10 FGCDMN CN(C)c1cc(F)c(CNC/C=C\CNC(=O)OC(C)(C)C)cc1F ZINC000862351300 732813309 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3.296 20 10 FGCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](c2[nH]ncc2N)C1 ZINC000907401980 744209527 /nfs/dbraw/zinc/20/95/27/744209527.db2.gz HXOQGLRIONJWLG-ZDUSSCGKSA-N 0 1 355.467 3.091 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cc(Br)ccc1[O-] ZINC000927059273 759883485 /nfs/dbraw/zinc/88/34/85/759883485.db2.gz APKFKVRDQOTXRD-VGKMCQHDSA-N 0 1 356.260 3.488 20 10 FGCDMN O=c1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[n-]c2ccsc21 ZINC000070976332 494076926 /nfs/dbraw/zinc/07/69/26/494076926.db2.gz JRISNPJWKTUTOP-AWEZNQCLSA-N 0 1 371.462 3.284 20 10 FGCDMN O=c1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[n-]c2ccsc21 ZINC000070976332 494076931 /nfs/dbraw/zinc/07/69/31/494076931.db2.gz JRISNPJWKTUTOP-AWEZNQCLSA-N 0 1 371.462 3.284 20 10 FGCDMN COc1ccc(N2CCC[N@H+](Cc3nc(=O)c4sccc4[n-]3)CC2)cc1 ZINC000053772570 494164535 /nfs/dbraw/zinc/16/45/35/494164535.db2.gz SJTCVZXYNWHHAU-UHFFFAOYSA-N 0 1 370.478 3.118 20 10 FGCDMN COc1ccc(N2CCC[N@@H+](Cc3nc(=O)c4sccc4[n-]3)CC2)cc1 ZINC000053772570 494164540 /nfs/dbraw/zinc/16/45/40/494164540.db2.gz SJTCVZXYNWHHAU-UHFFFAOYSA-N 0 1 370.478 3.118 20 10 FGCDMN Cc1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)ccn1 ZINC000580516041 505776144 /nfs/dbraw/zinc/77/61/44/505776144.db2.gz LUKIGRTXXXZQAR-UHFFFAOYSA-N 0 1 362.477 3.172 20 10 FGCDMN Cc1cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)ccc1F ZINC000105507037 495366550 /nfs/dbraw/zinc/36/65/50/495366550.db2.gz GISDNXXPSIGKOR-GDNBJRDFSA-N 0 1 350.484 3.430 20 10 FGCDMN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C)ccc1O ZINC000179572175 495645977 /nfs/dbraw/zinc/64/59/77/495645977.db2.gz BBJZOQVBRCKZBJ-UHFFFAOYSA-N 0 1 355.438 3.120 20 10 FGCDMN CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cc(Br)ccc2[O-])C1 ZINC000156376541 496228822 /nfs/dbraw/zinc/22/88/22/496228822.db2.gz LHMREKVZXZQWMI-GXTWGEPZSA-N 0 1 355.276 3.206 20 10 FGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000175068566 496236117 /nfs/dbraw/zinc/23/61/17/496236117.db2.gz GJHULRDNLLTTOT-UHFFFAOYSA-N 0 1 368.553 3.034 20 10 FGCDMN CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1cc(Br)ccc1[O-] ZINC000156562718 496279377 /nfs/dbraw/zinc/27/93/77/496279377.db2.gz NWYVADGRUWKSSF-MFKMUULPSA-N 0 1 364.305 3.019 20 10 FGCDMN Fc1cc(CNCc2ccnn2-c2ccccc2)ccc1N1CCOCC1 ZINC000279038164 497313370 /nfs/dbraw/zinc/31/33/70/497313370.db2.gz CIDDGCNAIYCGFQ-UHFFFAOYSA-N 0 1 366.440 3.138 20 10 FGCDMN CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000281267290 498081102 /nfs/dbraw/zinc/08/11/02/498081102.db2.gz WUGMPPMGQDYTPI-YPMHNXCESA-N 0 1 355.276 3.064 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc2ccccc2c1[O-] ZINC000360167316 498251662 /nfs/dbraw/zinc/25/16/62/498251662.db2.gz ZQGQSZCUOPAAPU-KUHUBIRLSA-N 0 1 351.450 3.462 20 10 FGCDMN CC(=O)c1cc(F)cc(CN2CCC(n3cc(Cl)cn3)CC2)c1O ZINC000365022289 498261464 /nfs/dbraw/zinc/26/14/64/498261464.db2.gz SVWVMSVFDBRMQU-UHFFFAOYSA-N 0 1 351.809 3.421 20 10 FGCDMN CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)c1cc(Br)ccc1[O-] ZINC000290418415 498545442 /nfs/dbraw/zinc/54/54/42/498545442.db2.gz 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LLJRVUBSRLEMCL-LJQANCHMSA-N 0 1 371.525 3.195 20 10 FGCDMN COc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000121184084 494634624 /nfs/dbraw/zinc/63/46/24/494634624.db2.gz DACSTVURFQXIGJ-LLVKDONJSA-N 0 1 366.259 3.266 20 10 FGCDMN CCN(CC)c1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1F ZINC000093669062 494911463 /nfs/dbraw/zinc/91/14/63/494911463.db2.gz XINGKJSWJXJJFN-UHFFFAOYSA-N 0 1 362.493 3.052 20 10 FGCDMN Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)N2CCCC2)o1 ZINC000102038185 495117493 /nfs/dbraw/zinc/11/74/93/495117493.db2.gz UEMCJDMBPDJMNO-QGZVFWFLSA-N 0 1 357.454 3.272 20 10 FGCDMN C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Br)ccc1[O-] ZINC000186091327 495851618 /nfs/dbraw/zinc/85/16/18/495851618.db2.gz XWUIQFNKECJYFE-LLVKDONJSA-N 0 1 355.276 3.112 20 10 FGCDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178727973 496552820 /nfs/dbraw/zinc/55/28/20/496552820.db2.gz IOYFLBRRJFCHQS-OAHLLOKOSA-N 0 1 371.437 3.291 20 10 FGCDMN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187798526 496576352 /nfs/dbraw/zinc/57/63/52/496576352.db2.gz OOGWCWZAYQQBQT-VUCTXSBTSA-N 0 1 354.441 3.089 20 10 FGCDMN C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Br)cc1[O-] ZINC000274336817 497073666 /nfs/dbraw/zinc/07/36/66/497073666.db2.gz CETKQGJJZRMZBN-JTQLQIEISA-N 0 1 368.300 3.350 20 10 FGCDMN COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(C)o1 ZINC000278499322 497135268 /nfs/dbraw/zinc/13/52/68/497135268.db2.gz NGDXTEMRQOUNKW-CYBMUJFWSA-N 0 1 350.371 3.078 20 10 FGCDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n[nH]1 ZINC000277256459 497789391 /nfs/dbraw/zinc/78/93/91/497789391.db2.gz QISPCNPLADNGAW-NEPJUHHUSA-N 0 1 362.453 3.084 20 10 FGCDMN CCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1O ZINC000364256827 497865331 /nfs/dbraw/zinc/86/53/31/497865331.db2.gz AWYRDVRQZHBFDA-KRWDZBQOSA-N 0 1 358.438 3.357 20 10 FGCDMN CCN1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C)cc2F)CC1 ZINC000301183386 497988444 /nfs/dbraw/zinc/98/84/44/497988444.db2.gz IUSACUWIBJQAPH-UHFFFAOYSA-N 0 1 373.432 3.191 20 10 FGCDMN COc1cc(Cl)cc(CNCc2cc(C)nc(N3CCCC3)n2)c1O ZINC000292751318 498133333 /nfs/dbraw/zinc/13/33/33/498133333.db2.gz IMVBXVQXLYCJRX-UHFFFAOYSA-N 0 1 362.861 3.043 20 10 FGCDMN COc1cccc(CNCc2cc3c(cc2Br)OCO3)c1O ZINC000289410666 498137037 /nfs/dbraw/zinc/13/70/37/498137037.db2.gz HTJINDFVONJGNR-UHFFFAOYSA-N 0 1 366.211 3.182 20 10 FGCDMN COc1ccc(N2CCC(N(C)C(=O)c3cc(C(C)C)[nH]n3)CC2)cc1 ZINC000360173288 498254133 /nfs/dbraw/zinc/25/41/33/498254133.db2.gz NDYASEMGTJTINF-UHFFFAOYSA-N 0 1 356.470 3.283 20 10 FGCDMN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCc4nc[nH]c4C3)c2C)cc1 ZINC000361278487 498370059 /nfs/dbraw/zinc/37/00/59/498370059.db2.gz MVHBNGPFDRRQIT-HNNXBMFYSA-N 0 1 364.449 3.113 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ncccn3)no2)C1 ZINC000572882454 506074103 /nfs/dbraw/zinc/07/41/03/506074103.db2.gz SLMSULZMMRAYHO-UHFFFAOYSA-N 0 1 374.448 3.296 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1[O-] ZINC000282976903 498732730 /nfs/dbraw/zinc/73/27/30/498732730.db2.gz DNJJIWOWEIQCFH-YGRLFVJLSA-N 0 1 353.260 3.007 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1[O-] ZINC000369902257 499149084 /nfs/dbraw/zinc/14/90/84/499149084.db2.gz LPCIYLRVTWZEOC-NORZTCDRSA-N 0 1 356.260 3.143 20 10 FGCDMN COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377890 499191330 /nfs/dbraw/zinc/19/13/30/499191330.db2.gz MWDYWGGWJKFZHT-CABCVRRESA-N 0 1 358.438 3.197 20 10 FGCDMN C[C@@H](NCc1cnc2n1CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000367438569 499199128 /nfs/dbraw/zinc/19/91/28/499199128.db2.gz NUILNLCHPNVIEL-OAHLLOKOSA-N 0 1 358.461 3.046 20 10 FGCDMN COc1ccc(O)c([C@H](C)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000368965653 499351292 /nfs/dbraw/zinc/35/12/92/499351292.db2.gz LRKYYNYOPLLKET-AWEZNQCLSA-N 0 1 360.479 3.371 20 10 FGCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCN(c2cccnn2)CC1 ZINC000377284577 499676895 /nfs/dbraw/zinc/67/68/95/499676895.db2.gz CSZPFOMSLJUESV-UHFFFAOYSA-N 0 1 350.825 3.076 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCCO2)C1 ZINC000435522817 500988437 /nfs/dbraw/zinc/98/84/37/500988437.db2.gz PQLSNYOQXWWTRA-QGZVFWFLSA-N 0 1 369.509 3.093 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(F)(F)F)C1 ZINC000435626378 501004795 /nfs/dbraw/zinc/00/47/95/501004795.db2.gz JGNWVHJZEAVARS-UHFFFAOYSA-N 0 1 353.388 3.086 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCSC[C@@H]2C)C1 ZINC000435870178 501039569 /nfs/dbraw/zinc/03/95/69/501039569.db2.gz DUOSZCMQDSQTJU-INIZCTEOSA-N 0 1 371.550 3.372 20 10 FGCDMN CS[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435905767 501044847 /nfs/dbraw/zinc/04/48/47/501044847.db2.gz GQNBROAXWZIVDW-HNNXBMFYSA-N 0 1 359.539 3.276 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCSC2)C1 ZINC000436045793 501063258 /nfs/dbraw/zinc/06/32/58/501063258.db2.gz PVQCCKVOKXXUDF-MRXNPFEDSA-N 0 1 371.550 3.372 20 10 FGCDMN CCOCc1cc(CNC[C@H](n2cccn2)C(F)(F)F)ccc1OC ZINC000527741605 503923665 /nfs/dbraw/zinc/92/36/65/503923665.db2.gz GCCKKRZHPAVJLD-INIZCTEOSA-N 0 1 357.376 3.321 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527745934 503926102 /nfs/dbraw/zinc/92/61/02/503926102.db2.gz TVRYTLCSGWYIHK-LBPRGKRZSA-N 0 1 364.165 3.244 20 10 FGCDMN C[NH+](C)CCNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000529642078 504751056 /nfs/dbraw/zinc/75/10/56/504751056.db2.gz DTIGEPOZFOUCHN-UHFFFAOYSA-N 0 1 365.836 3.088 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCSC2)C1 ZINC000552853053 504775876 /nfs/dbraw/zinc/77/58/76/504775876.db2.gz IBHLRWRWTJREMI-MRXNPFEDSA-N 0 1 371.550 3.420 20 10 FGCDMN CCN(CC)c1ccc(CNCc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000821198943 599456035 /nfs/dbraw/zinc/45/60/35/599456035.db2.gz YOOCTHFJTBWMCG-UHFFFAOYSA-N 0 1 354.433 3.142 20 10 FGCDMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000739658277 600702994 /nfs/dbraw/zinc/70/29/94/600702994.db2.gz OFQJCPCDTPQJJU-GFCCVEGCSA-N 0 1 361.463 3.409 20 10 FGCDMN O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000833315498 601634767 /nfs/dbraw/zinc/63/47/67/601634767.db2.gz WYTCISSSRHBKKC-INIZCTEOSA-N 0 1 359.397 3.411 20 10 FGCDMN COc1cccc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1O ZINC000833735753 604640299 /nfs/dbraw/zinc/64/02/99/604640299.db2.gz UZMPIURJLOHEOR-UHFFFAOYSA-N 0 1 351.349 3.156 20 10 FGCDMN CC[C@H](C)NC(=O)[C@H](C)N(CC)Cc1cc(Br)ccc1O ZINC000076118565 700224770 /nfs/dbraw/zinc/22/47/70/700224770.db2.gz HJLZAOAAYBCVNF-RYUDHWBXSA-N 0 1 357.292 3.280 20 10 FGCDMN COC(=O)CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000093460716 700451590 /nfs/dbraw/zinc/45/15/90/700451590.db2.gz KHIFTBWEKYRCTA-CYBMUJFWSA-N 0 1 362.253 3.243 20 10 FGCDMN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000157335279 705151422 /nfs/dbraw/zinc/15/14/22/705151422.db2.gz NTIMAKVEEWNBDQ-UHFFFAOYSA-N 0 1 365.499 3.483 20 10 FGCDMN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179960599 705722292 /nfs/dbraw/zinc/72/22/92/705722292.db2.gz ZJQNYCITWYYLQC-JTQLQIEISA-N 0 1 356.806 3.117 20 10 FGCDMN COc1ccc(O)c([C@H](C)NCc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000184307479 705928646 /nfs/dbraw/zinc/92/86/46/705928646.db2.gz KEMZUMLFBIHRHL-JTQLQIEISA-N 0 1 350.346 3.308 20 10 FGCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000779459641 724415154 /nfs/dbraw/zinc/41/51/54/724415154.db2.gz FKZNKVCLEMJJNF-UHFFFAOYSA-N 0 1 363.435 3.213 20 10 FGCDMN CCOc1ncccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804903051 724562339 /nfs/dbraw/zinc/56/23/39/724562339.db2.gz BPAGTTGSQNGIRP-UHFFFAOYSA-N 0 1 370.236 3.492 20 10 FGCDMN CN(C)C(=O)c1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000725844229 722424670 /nfs/dbraw/zinc/42/46/70/722424670.db2.gz LUBMWBQQDZFQBY-UHFFFAOYSA-N 0 1 363.255 3.146 20 10 FGCDMN O=S(=O)(CC[NH2+]Cc1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC000733325794 722495736 /nfs/dbraw/zinc/49/57/36/722495736.db2.gz SVIAELQJMNCPJY-UHFFFAOYSA-N 0 1 360.262 3.263 20 10 FGCDMN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000734651878 722509052 /nfs/dbraw/zinc/50/90/52/722509052.db2.gz DEPNYSVBOZOCEU-KRWDZBQOSA-N 0 1 360.527 3.225 20 10 FGCDMN Cc1cc(C(=O)N2CCc3[nH]nnc3C2)c(C)n1-c1cccc(Cl)c1 ZINC000742202981 722553360 /nfs/dbraw/zinc/55/33/60/722553360.db2.gz GLHVQDSWFAEYLW-UHFFFAOYSA-N 0 1 355.829 3.064 20 10 FGCDMN CCN(CC(=O)N1CCCC[C@@H]1C)Cc1cc(Br)ccc1O ZINC000743872834 722572217 /nfs/dbraw/zinc/57/22/17/722572217.db2.gz BIHYCESRMGVNRE-ZDUSSCGKSA-N 0 1 369.303 3.378 20 10 FGCDMN COc1cccc(O)c1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000756119146 722961030 /nfs/dbraw/zinc/96/10/30/722961030.db2.gz DWIIHMPOEZORLF-UHFFFAOYSA-N 0 1 372.284 3.219 20 10 FGCDMN COc1cccc(O)c1CN(CCO)Cc1cc(Br)cs1 ZINC000756119146 722961031 /nfs/dbraw/zinc/96/10/31/722961031.db2.gz DWIIHMPOEZORLF-UHFFFAOYSA-N 0 1 372.284 3.219 20 10 FGCDMN C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1[O-] ZINC000756399490 722964017 /nfs/dbraw/zinc/96/40/17/722964017.db2.gz QCJAMNZKDVITOF-NSHDSACASA-N 0 1 367.287 3.206 20 10 FGCDMN Cc1nc(CC[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])n[nH]1 ZINC000757636038 722977715 /nfs/dbraw/zinc/97/77/15/722977715.db2.gz DYMMDADTKSLZCP-ZETCQYMHSA-N 0 1 359.655 3.128 20 10 FGCDMN Cc1nnc(CC[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])[nH]1 ZINC000757636038 722977716 /nfs/dbraw/zinc/97/77/16/722977716.db2.gz DYMMDADTKSLZCP-ZETCQYMHSA-N 0 1 359.655 3.128 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000790411731 723136980 /nfs/dbraw/zinc/13/69/80/723136980.db2.gz PKGJOKXKVQSGEZ-UHFFFAOYSA-N 0 1 357.815 3.254 20 10 FGCDMN CS(=O)(=O)[C@@H]1CCCN(Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000763384707 723339467 /nfs/dbraw/zinc/33/94/67/723339467.db2.gz SZFIMXMZKNZDLJ-CYBMUJFWSA-N 0 1 363.479 3.026 20 10 FGCDMN O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000765747123 723537496 /nfs/dbraw/zinc/53/74/96/723537496.db2.gz MFBKODPQILUTNC-HNNXBMFYSA-N 0 1 367.287 3.178 20 10 FGCDMN O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000765747123 723537499 /nfs/dbraw/zinc/53/74/99/723537499.db2.gz MFBKODPQILUTNC-HNNXBMFYSA-N 0 1 367.287 3.178 20 10 FGCDMN CCOc1ccc(CN2CCCN(C(=O)OCC(C)C)CC2)c(O)c1 ZINC000769225068 723679984 /nfs/dbraw/zinc/67/99/84/723679984.db2.gz HWQIWCPKVBRBMA-UHFFFAOYSA-N 0 1 350.459 3.091 20 10 FGCDMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000771054509 723726813 /nfs/dbraw/zinc/72/68/13/723726813.db2.gz URUCOZYECHSIJV-ZWNOBZJWSA-N 0 1 364.795 3.325 20 10 FGCDMN Cc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000773140527 723777669 /nfs/dbraw/zinc/77/76/69/723777669.db2.gz SBMFWFAUEPIAOY-XNTDXEJSSA-N 0 1 357.207 3.219 20 10 FGCDMN CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cc(Br)ccc1[O-] ZINC000775526924 723998146 /nfs/dbraw/zinc/99/81/46/723998146.db2.gz ODOBWNXWBVRITF-GXTWGEPZSA-N 0 1 355.276 3.205 20 10 FGCDMN COc1ccc(O)c(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000775692614 724026075 /nfs/dbraw/zinc/02/60/75/724026075.db2.gz ZJKRVRRUUDBIMH-ZIAGYGMSSA-N 0 1 350.459 3.231 20 10 FGCDMN CC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000788618853 725076514 /nfs/dbraw/zinc/07/65/14/725076514.db2.gz KRGREAKFVQCICG-SQWLQELKSA-N 0 1 358.276 3.389 20 10 FGCDMN CCOC(=O)c1csc(/C=C\c2ccc(N3CCN(C)CC3)cc2)n1 ZINC000806562130 725133444 /nfs/dbraw/zinc/13/34/44/725133444.db2.gz GQDOUXRGTKPHPG-TWGQIWQCSA-N 0 1 357.479 3.242 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc2[nH]c(=O)oc21 ZINC000807836963 725171583 /nfs/dbraw/zinc/17/15/83/725171583.db2.gz VUWHHODQXNACCB-UHFFFAOYSA-N 0 1 353.161 3.476 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000807837433 725171633 /nfs/dbraw/zinc/17/16/33/725171633.db2.gz QAKDUHYWGWEFJY-MRVPVSSYSA-N 0 1 371.186 3.199 20 10 FGCDMN O=C(CCC(=O)c1ccccn1)NCc1cc(Cl)cc(Cl)c1O ZINC000807840555 725172256 /nfs/dbraw/zinc/17/22/56/725172256.db2.gz DMFQERCAOALUMZ-UHFFFAOYSA-N 0 1 353.205 3.373 20 10 FGCDMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808114066 725184519 /nfs/dbraw/zinc/18/45/19/725184519.db2.gz PHWWDNIZPLAMPY-UHFFFAOYSA-N 0 1 373.789 3.081 20 10 FGCDMN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000809696305 725259533 /nfs/dbraw/zinc/25/95/33/725259533.db2.gz GTNSLEVLXMIYGF-CQSZACIVSA-N 0 1 351.752 3.281 20 10 FGCDMN CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809709252 725261159 /nfs/dbraw/zinc/26/11/59/725261159.db2.gz OHVFYBKLWMJRHF-ZDUSSCGKSA-N 0 1 371.821 3.007 20 10 FGCDMN O=[N+]([O-])c1ccc(CNCc2cc(Br)ccc2O)c(F)c1 ZINC000809713173 725261632 /nfs/dbraw/zinc/26/16/32/725261632.db2.gz KPXQOIWCYFTRIP-UHFFFAOYSA-N 0 1 355.163 3.492 20 10 FGCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000809718143 725262097 /nfs/dbraw/zinc/26/20/97/725262097.db2.gz REBKATMQPKTHCG-QMMMGPOBSA-N 0 1 367.081 3.384 20 10 FGCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809769693 725267122 /nfs/dbraw/zinc/26/71/22/725267122.db2.gz QVWXPZSWXQYJIC-BHDSKKPTSA-N 0 1 364.795 3.323 20 10 FGCDMN CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211478 725296962 /nfs/dbraw/zinc/29/69/62/725296962.db2.gz CMURNOWOTALRDN-SNVBAGLBSA-N 0 1 358.282 3.130 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227693 725298315 /nfs/dbraw/zinc/29/83/15/725298315.db2.gz ZVNSLAWENQORBV-DWZYQQQCSA-N 0 1 356.388 3.461 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000812782143 726811370 /nfs/dbraw/zinc/81/13/70/726811370.db2.gz PIEXJQAHOFJEOJ-SFHVURJKSA-N 0 1 362.813 3.090 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000812883717 726820174 /nfs/dbraw/zinc/82/01/74/726820174.db2.gz YCXSXNLRMOTZLI-FQEVSTJZSA-N 0 1 359.853 3.384 20 10 FGCDMN O=Cc1ccc(OCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000813685903 726905206 /nfs/dbraw/zinc/90/52/06/726905206.db2.gz VTGFMXXNJNJCCX-UHFFFAOYSA-N 0 1 354.189 3.207 20 10 FGCDMN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000815633849 727087881 /nfs/dbraw/zinc/08/78/81/727087881.db2.gz XUNSBQFSBIGZGA-NEPJUHHUSA-N 0 1 357.292 3.358 20 10 FGCDMN CCS(=O)(=O)CCNCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819290982 727364978 /nfs/dbraw/zinc/36/49/78/727364978.db2.gz PBHRFLINJMWLCY-CQSZACIVSA-N 0 1 358.935 3.101 20 10 FGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000824530222 729345714 /nfs/dbraw/zinc/34/57/14/729345714.db2.gz WLTXPKICRNUHMV-GFCCVEGCSA-N 0 1 368.886 3.194 20 10 FGCDMN Cc1cc([O-])c(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000824530222 729345715 /nfs/dbraw/zinc/34/57/15/729345715.db2.gz WLTXPKICRNUHMV-GFCCVEGCSA-N 0 1 368.886 3.194 20 10 FGCDMN COCCCOC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824848885 729361904 /nfs/dbraw/zinc/36/19/04/729361904.db2.gz BUSLDYINHBMNLG-UHFFFAOYSA-N 0 1 358.276 3.172 20 10 FGCDMN COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825279879 729376927 /nfs/dbraw/zinc/37/69/27/729376927.db2.gz ZQAFKHOOUDTWBT-GOSISDBHSA-N 0 1 351.830 3.194 20 10 FGCDMN Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(Br)cc2[O-])cn1 ZINC000827329300 729428762 /nfs/dbraw/zinc/42/87/62/729428762.db2.gz XQGPXNYNQNACLK-CZUORRHYSA-N 0 1 364.287 3.389 20 10 FGCDMN Cc1ccoc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830543951 729570204 /nfs/dbraw/zinc/57/02/04/729570204.db2.gz IXHWMTSECYGJJQ-INIZCTEOSA-N 0 1 362.857 3.270 20 10 FGCDMN CC[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000834914007 729846130 /nfs/dbraw/zinc/84/61/30/729846130.db2.gz KBFLKSQWOUBWJC-QEJZJMRPSA-N 0 1 367.287 3.349 20 10 FGCDMN C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841743522 730269747 /nfs/dbraw/zinc/26/97/47/730269747.db2.gz AQQKPAHUMZXIFP-ZDUSSCGKSA-N 0 1 353.871 3.311 20 10 FGCDMN COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841757853 730271349 /nfs/dbraw/zinc/27/13/49/730271349.db2.gz GDBHFRFZLIXNFF-ZMZPIMSZSA-N 0 1 351.830 3.447 20 10 FGCDMN C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1[O-] ZINC000841765421 730272258 /nfs/dbraw/zinc/27/22/58/730272258.db2.gz YADDJLLFXQWNHA-LBPRGKRZSA-N 0 1 369.870 3.179 20 10 FGCDMN CN(C)[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000841849159 730281159 /nfs/dbraw/zinc/28/11/59/730281159.db2.gz YETWWTJTFPJBEV-GOSISDBHSA-N 0 1 360.889 3.067 20 10 FGCDMN CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(Br)ccc1[O-] ZINC000842921368 730557008 /nfs/dbraw/zinc/55/70/08/730557008.db2.gz XZDMHLSKACYFIG-YOEHRIQHSA-N 0 1 372.303 3.373 20 10 FGCDMN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cccc2c1OCCC2 ZINC000844824781 730775132 /nfs/dbraw/zinc/77/51/32/730775132.db2.gz CBIFAUNNSNNAHZ-UHFFFAOYSA-N 0 1 358.463 3.413 20 10 FGCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000846056653 730924259 /nfs/dbraw/zinc/92/42/59/730924259.db2.gz WADWVSNINXFTOT-UGSOOPFHSA-N 0 1 352.862 3.392 20 10 FGCDMN C[C@@H](NCc1ccc(OCC(F)(F)F)nn1)c1ccc(N(C)C)cc1 ZINC000846856927 730988259 /nfs/dbraw/zinc/98/82/59/730988259.db2.gz FMOVEQVNTNROKZ-GFCCVEGCSA-N 0 1 354.376 3.335 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000848563587 731182171 /nfs/dbraw/zinc/18/21/71/731182171.db2.gz VJXDBGGNGGARMG-YPMHNXCESA-N 0 1 354.376 3.138 20 10 FGCDMN C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000850411698 731353974 /nfs/dbraw/zinc/35/39/74/731353974.db2.gz ILTRXCOIOYGWIB-SJKOYZFVSA-N 0 1 350.256 3.409 20 10 FGCDMN CO[C@H](CC(C)C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000857471838 732133056 /nfs/dbraw/zinc/13/30/56/732133056.db2.gz CCDSSWCJFMKGIR-FUHWJXTLSA-N 0 1 368.905 3.187 20 10 FGCDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000857866678 732164620 /nfs/dbraw/zinc/16/46/20/732164620.db2.gz DRXYJEHPSNPRJH-PRHODGIISA-N 0 1 354.237 3.404 20 10 FGCDMN COCCOc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858096779 732179853 /nfs/dbraw/zinc/17/98/53/732179853.db2.gz OKZLAJRCJRZETB-UHFFFAOYSA-N 0 1 366.255 3.470 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000858165901 732188451 /nfs/dbraw/zinc/18/84/51/732188451.db2.gz RFQBLXODSOHQJE-QAPCUYQASA-N 0 1 362.267 3.411 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000858208426 732192452 /nfs/dbraw/zinc/19/24/52/732192452.db2.gz CQIZCWGKTMPMEJ-LBPRGKRZSA-N 0 1 364.165 3.244 20 10 FGCDMN Cc1csc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000858352835 732206523 /nfs/dbraw/zinc/20/65/23/732206523.db2.gz GFNLUUYGPUMHOP-ZBFHGGJFSA-N 0 1 358.511 3.004 20 10 FGCDMN Cc1csc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000858352833 732206578 /nfs/dbraw/zinc/20/65/78/732206578.db2.gz GFNLUUYGPUMHOP-HOCLYGCPSA-N 0 1 358.511 3.004 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+](CCO)CCc1ccccc1 ZINC000862244396 732796077 /nfs/dbraw/zinc/79/60/77/732796077.db2.gz ALGXXIJMYFSJOY-UHFFFAOYSA-N 0 1 350.256 3.192 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+](CCO)CCc1ccccc1 ZINC000862244396 732796079 /nfs/dbraw/zinc/79/60/79/732796079.db2.gz ALGXXIJMYFSJOY-UHFFFAOYSA-N 0 1 350.256 3.192 20 10 FGCDMN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1cc(Cl)cc(F)c1O ZINC000862474877 732839440 /nfs/dbraw/zinc/83/94/40/732839440.db2.gz RRZMXCKEQPKMKU-INIZCTEOSA-N 0 1 367.804 3.067 20 10 FGCDMN C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000886801076 739303055 /nfs/dbraw/zinc/30/30/55/739303055.db2.gz HODLSSIEINJPMD-LHLIQPBNSA-N 0 1 360.145 3.258 20 10 FGCDMN CO[C@@H]1C[C@@H]2CN(Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687619 736704757 /nfs/dbraw/zinc/70/47/57/736704757.db2.gz KRCTUCJNMVVDAG-IAGOWNOFSA-N 0 1 359.857 3.050 20 10 FGCDMN CO[C@H]1C[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)Cc3cccnc3N2C1 ZINC000877687897 736705024 /nfs/dbraw/zinc/70/50/24/736705024.db2.gz NFAMACDFUJXEJN-CABCVRRESA-N 0 1 359.857 3.050 20 10 FGCDMN CO[C@H]1C[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)Cc3cccnc3N2C1 ZINC000877687897 736705026 /nfs/dbraw/zinc/70/50/26/736705026.db2.gz NFAMACDFUJXEJN-CABCVRRESA-N 0 1 359.857 3.050 20 10 FGCDMN CO[C@H]1C[C@@H]2CN(Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687897 736705030 /nfs/dbraw/zinc/70/50/30/736705030.db2.gz NFAMACDFUJXEJN-CABCVRRESA-N 0 1 359.857 3.050 20 10 FGCDMN CN1CCN(c2ccc(CNC(=O)C(C)(C)CC(F)(F)F)cc2)CC1 ZINC000893608498 742177172 /nfs/dbraw/zinc/17/71/72/742177172.db2.gz VMZBTLDZAMLGQV-UHFFFAOYSA-N 0 1 357.420 3.033 20 10 FGCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000894083488 742236458 /nfs/dbraw/zinc/23/64/58/742236458.db2.gz DZDDWDCQGAJJCW-CHWSQXEVSA-N 0 1 362.264 3.000 20 10 FGCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](Cc3nc(C)cs3)C2)ccc1[N+](=O)[O-] ZINC000897298755 742665537 /nfs/dbraw/zinc/66/55/37/742665537.db2.gz IFSFDUSACDUIRP-GFCCVEGCSA-N 0 1 363.439 3.139 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CC[C@H](Cc3nc(C)cs3)C2)ccc1[N+](=O)[O-] ZINC000897298755 742665541 /nfs/dbraw/zinc/66/55/41/742665541.db2.gz IFSFDUSACDUIRP-GFCCVEGCSA-N 0 1 363.439 3.139 20 10 FGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897614042 742695302 /nfs/dbraw/zinc/69/53/02/742695302.db2.gz LZGMASKWAMAUNI-VIFPVBQESA-N 0 1 359.298 3.469 20 10 FGCDMN FC(F)(F)CO[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000916836163 758143132 /nfs/dbraw/zinc/14/31/32/758143132.db2.gz CNJSYYUMQHNYCC-QGZVFWFLSA-N 0 1 358.404 3.067 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000927105175 759893110 /nfs/dbraw/zinc/89/31/10/759893110.db2.gz QNMCIMKPLGPCHX-IUODEOHRSA-N 0 1 369.303 3.059 20 10 FGCDMN COc1cccc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1O ZINC000092453560 494630908 /nfs/dbraw/zinc/63/09/08/494630908.db2.gz ODPGZYURYDQANH-UHFFFAOYSA-N 0 1 374.868 3.402 20 10 FGCDMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000182416341 495555579 /nfs/dbraw/zinc/55/55/79/495555579.db2.gz CMHJMXWWKMBBQE-UHFFFAOYSA-N 0 1 362.451 3.065 20 10 FGCDMN COc1ccc(O)c([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 ZINC000186349886 495959632 /nfs/dbraw/zinc/95/96/32/495959632.db2.gz UAWOZILMKPEPNV-AUUYWEPGSA-N 0 1 369.465 3.024 20 10 FGCDMN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186566118 496049035 /nfs/dbraw/zinc/04/90/35/496049035.db2.gz VOFHZWWWJVSLMA-QWHCGFSZSA-N 0 1 360.329 3.376 20 10 FGCDMN COc1cc(Cl)cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278448905 497117984 /nfs/dbraw/zinc/11/79/84/497117984.db2.gz XNOLMOOQXTYTMF-YMTOWFKASA-N 0 1 353.768 3.189 20 10 FGCDMN C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])CN1CCN(C)CC1 ZINC000192822884 497222744 /nfs/dbraw/zinc/22/27/44/497222744.db2.gz XGBUOLQLIKOISF-CHWSQXEVSA-N 0 1 360.329 3.233 20 10 FGCDMN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000279771314 497536700 /nfs/dbraw/zinc/53/67/00/497536700.db2.gz STWYPQQKIFIMCW-SJORKVTESA-N 0 1 359.491 3.390 20 10 FGCDMN CO[C@H](C)c1nc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000267600096 497584974 /nfs/dbraw/zinc/58/49/74/497584974.db2.gz DNHIRCDCLPMJAZ-MRVPVSSYSA-N 0 1 357.819 3.408 20 10 FGCDMN CCN1CCN(c2ccc(CNc3ncc(C)cc3[N+](=O)[O-])cc2F)CC1 ZINC000301418553 498101233 /nfs/dbraw/zinc/10/12/33/498101233.db2.gz DBMXACWPUSGMBT-UHFFFAOYSA-N 0 1 373.432 3.191 20 10 FGCDMN COCCOC1(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CCOCC1 ZINC000296607129 498118471 /nfs/dbraw/zinc/11/84/71/498118471.db2.gz WAIAKICCNRKXGR-MRXNPFEDSA-N 0 1 359.466 3.408 20 10 FGCDMN COCc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 ZINC000297627982 498517041 /nfs/dbraw/zinc/51/70/41/498517041.db2.gz LUFOFZYOCAHELM-ZDUSSCGKSA-N 0 1 367.396 3.181 20 10 FGCDMN Cc1cnc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)o1 ZINC000572943824 506088868 /nfs/dbraw/zinc/08/88/68/506088868.db2.gz KFTDRYTXVSZRAW-UHFFFAOYSA-N 0 1 366.465 3.021 20 10 FGCDMN Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C2 ZINC000363866022 499030662 /nfs/dbraw/zinc/03/06/62/499030662.db2.gz OAQNPSVFAISBFI-YGRLFVJLSA-N 0 1 362.271 3.461 20 10 FGCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000371911626 499378360 /nfs/dbraw/zinc/37/83/60/499378360.db2.gz NVMUYEACNSCWTF-CQSZACIVSA-N 0 1 355.467 3.294 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000372210308 499409528 /nfs/dbraw/zinc/40/95/28/499409528.db2.gz PCARVUBPQIAJBD-IBGZPJMESA-N 0 1 352.482 3.479 20 10 FGCDMN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000373536578 499475552 /nfs/dbraw/zinc/47/55/52/499475552.db2.gz WLMJEPSJYIUZNV-SFHVURJKSA-N 0 1 373.796 3.050 20 10 FGCDMN Cc1cc(Cl)cc(CN2CCCN(C(=O)c3ccncc3)CC2)c1O ZINC000378439306 499516532 /nfs/dbraw/zinc/51/65/32/499516532.db2.gz OJZYBDPOBNUFID-UHFFFAOYSA-N 0 1 359.857 3.097 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528039 499528791 /nfs/dbraw/zinc/52/87/91/499528791.db2.gz HRQOHGUSDLXVQS-KHYOSLBOSA-N 0 1 364.442 3.215 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376575470 499619920 /nfs/dbraw/zinc/61/99/20/499619920.db2.gz VCOGXCQYVATWNJ-CHWSQXEVSA-N 0 1 358.269 3.125 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)cc(F)c1[O-] ZINC000377796395 499735250 /nfs/dbraw/zinc/73/52/50/499735250.db2.gz NLGCMNVKGLPEQB-PSASIEDQSA-N 0 1 354.223 3.225 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1O ZINC000740096644 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CCN(Cc1ccccc1)c1ccc(CN[C@H](C)CS(C)(=O)=O)cc1 ZINC000172122510 705408181 /nfs/dbraw/zinc/40/81/81/705408181.db2.gz NHJCZMXUSUAZNZ-QGZVFWFLSA-N 0 1 360.523 3.236 20 10 FGCDMN C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000235463337 713580202 /nfs/dbraw/zinc/58/02/02/713580202.db2.gz LCGPTXNUVZSBFW-SNVBAGLBSA-N 0 1 359.264 3.158 20 10 FGCDMN COc1cc(C[C@@H](CO)C[NH2+]Cc2c([O-])cccc2Cl)cc(OC)c1 ZINC000747622806 722653084 /nfs/dbraw/zinc/65/30/84/722653084.db2.gz YQOFMJHHFUGOIN-CQSZACIVSA-N 0 1 365.857 3.004 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000781911431 724611463 /nfs/dbraw/zinc/61/14/63/724611463.db2.gz MNYLAACEOYRVPR-CQSZACIVSA-N 0 1 353.304 3.381 20 10 FGCDMN CC[NH+](CC)CCN(CCOC)Cc1cc(C)cc(Br)c1[O-] ZINC000781912521 724611580 /nfs/dbraw/zinc/61/15/80/724611580.db2.gz OKQCROVKCAANFD-UHFFFAOYSA-N 0 1 373.335 3.253 20 10 FGCDMN COc1ccc(N2CCCN(CC[S@](=O)c3ccccc3)CC2)cc1 ZINC000729473446 722459821 /nfs/dbraw/zinc/45/98/21/722459821.db2.gz 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CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(C)cc(Br)c1[O-] ZINC000809697029 725259834 /nfs/dbraw/zinc/25/98/34/725259834.db2.gz BOTNQXOHNDYKEC-MJNRQNDHSA-N 0 1 352.272 3.318 20 10 FGCDMN COC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000809713126 725261606 /nfs/dbraw/zinc/26/16/06/725261606.db2.gz JGEZBDFXYYSIJG-UHFFFAOYSA-N 0 1 350.212 3.231 20 10 FGCDMN CN(Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](O)C(F)(F)F ZINC000809750711 725264943 /nfs/dbraw/zinc/26/49/43/725264943.db2.gz FJPLSHKOGRJQPT-QGZVFWFLSA-N 0 1 355.356 3.326 20 10 FGCDMN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c(Cl)n1 ZINC000811703985 725377238 /nfs/dbraw/zinc/37/72/38/725377238.db2.gz NYLHPYNTWIVQHU-UHFFFAOYSA-N 0 1 370.858 3.475 20 10 FGCDMN COC[C@H](C)[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000812536057 725399674 /nfs/dbraw/zinc/39/96/74/725399674.db2.gz OXUAPZAJLGNUPS-ZQIUZPCESA-N 0 1 368.905 3.045 20 10 FGCDMN CS(=O)(=O)CC[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000814170812 726944231 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CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824870503 729363131 /nfs/dbraw/zinc/36/31/31/729363131.db2.gz SLRZTAYCQCGFPG-LBPRGKRZSA-N 0 1 356.260 3.318 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000825489333 729385030 /nfs/dbraw/zinc/38/50/30/729385030.db2.gz IUKWWMCIGRBBIA-ZDUSSCGKSA-N 0 1 370.287 3.172 20 10 FGCDMN Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825652844 729390641 /nfs/dbraw/zinc/39/06/41/729390641.db2.gz ZDCFBXMEGVJSNQ-MRXNPFEDSA-N 0 1 350.256 3.156 20 10 FGCDMN Oc1cc(Br)ccc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825710456 729392411 /nfs/dbraw/zinc/39/24/11/729392411.db2.gz QCSXPVNOCATTBB-ZWNOBZJWSA-N 0 1 368.193 3.290 20 10 FGCDMN OC[C@@H]1CN(Cc2ccc(Br)cc2O)CC[C@@H]1C(F)(F)F ZINC000825887622 729398567 /nfs/dbraw/zinc/39/85/67/729398567.db2.gz VSAFRKXYYQJENN-JQWIXIFHSA-N 0 1 368.193 3.147 20 10 FGCDMN NC(=O)CC1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCCC1 ZINC000827751609 729434257 /nfs/dbraw/zinc/43/42/57/729434257.db2.gz 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C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)ccc1[O-] ZINC000842883581 730553508 /nfs/dbraw/zinc/55/35/08/730553508.db2.gz DWKXDMXEKAUPKU-ZWNOBZJWSA-N 0 1 355.276 3.205 20 10 FGCDMN CN(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccsc1 ZINC000844879862 730784486 /nfs/dbraw/zinc/78/44/86/730784486.db2.gz MDYNLMSQISJSMF-CQSZACIVSA-N 0 1 353.875 3.209 20 10 FGCDMN Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846058211 730924178 /nfs/dbraw/zinc/92/41/78/730924178.db2.gz OBRRRSBGFVPPPZ-UHFFFAOYSA-N 0 1 363.767 3.318 20 10 FGCDMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1cc(Cl)ccc1O ZINC000846058211 730924181 /nfs/dbraw/zinc/92/41/81/730924181.db2.gz OBRRRSBGFVPPPZ-UHFFFAOYSA-N 0 1 363.767 3.318 20 10 FGCDMN Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000846107101 730929308 /nfs/dbraw/zinc/92/93/08/730929308.db2.gz HGFQAEFBTYVXDM-AWEZNQCLSA-N 0 1 363.255 3.021 20 10 FGCDMN COc1cc(Br)cc([C@H](C)N[C@@H](C)c2ccn(C)n2)c1O ZINC000848552791 731180666 /nfs/dbraw/zinc/18/06/66/731180666.db2.gz 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FGCDMN Cc1cc(Br)cc(CNCc2nn(C)cc2C(F)F)c1O ZINC000877734041 736711603 /nfs/dbraw/zinc/71/16/03/736711603.db2.gz GQCAXNTUEOUHRZ-UHFFFAOYSA-N 0 1 360.202 3.424 20 10 FGCDMN OCC[C@H](NCc1cc(Cl)cc(Br)c1O)C(F)(F)F ZINC000886370123 739250810 /nfs/dbraw/zinc/25/08/10/739250810.db2.gz WWFKYRNHLKWXLJ-VIFPVBQESA-N 0 1 362.573 3.211 20 10 FGCDMN COCC[N@@H+](Cc1cccnc1)Cc1cc(Br)cc(F)c1[O-] ZINC000894766864 742330844 /nfs/dbraw/zinc/33/08/44/742330844.db2.gz WAYQCBAVNHFASO-UHFFFAOYSA-N 0 1 369.234 3.337 20 10 FGCDMN Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000897579608 742692084 /nfs/dbraw/zinc/69/20/84/742692084.db2.gz YDLFYNPPQLYJKN-LBPRGKRZSA-N 0 1 366.259 3.301 20 10 FGCDMN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC000897579608 742692086 /nfs/dbraw/zinc/69/20/86/742692086.db2.gz YDLFYNPPQLYJKN-LBPRGKRZSA-N 0 1 366.259 3.301 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(Br)cc1[O-] ZINC000927059579 759883850 /nfs/dbraw/zinc/88/38/50/759883850.db2.gz 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ZINC000273378352 496788552 /nfs/dbraw/zinc/78/85/52/496788552.db2.gz HTXNUYCQIILIHQ-LLVKDONJSA-N 0 1 350.260 3.467 20 10 FGCDMN COc1c([O-])c(C[N@H+](C)C[C@@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278139929 497019085 /nfs/dbraw/zinc/01/90/85/497019085.db2.gz AQXAALYTQKIDHC-KRWDZBQOSA-N 0 1 358.394 3.055 20 10 FGCDMN COc1c([O-])c(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278139929 497019090 /nfs/dbraw/zinc/01/90/90/497019090.db2.gz AQXAALYTQKIDHC-KRWDZBQOSA-N 0 1 358.394 3.055 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000226036746 497080460 /nfs/dbraw/zinc/08/04/60/497080460.db2.gz AUBDARJGLJHNDZ-SNVBAGLBSA-N 0 1 367.209 3.129 20 10 FGCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])CN1CCN(C)CC1 ZINC000192822852 497223363 /nfs/dbraw/zinc/22/33/63/497223363.db2.gz XGBUOLQLIKOISF-OLZOCXBDSA-N 0 1 360.329 3.233 20 10 FGCDMN C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271536677 497376057 /nfs/dbraw/zinc/37/60/57/497376057.db2.gz XTPMUZHZYOJCHJ-KUHUBIRLSA-N 0 1 362.420 3.186 20 10 FGCDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCOc3cc(N(C)C)ccc31)C2 ZINC000364772226 498135387 /nfs/dbraw/zinc/13/53/87/498135387.db2.gz RRWRRISSVPTGPD-CQSZACIVSA-N 0 1 368.481 3.130 20 10 FGCDMN COc1cc(Br)cc(CN2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000365613806 498559249 /nfs/dbraw/zinc/55/92/49/498559249.db2.gz CWLFVSPKEPIQPF-AWEZNQCLSA-N 0 1 366.259 3.115 20 10 FGCDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000365828392 498658153 /nfs/dbraw/zinc/65/81/53/498658153.db2.gz UZJJVLGWSPJPAZ-UHFFFAOYSA-N 0 1 355.486 3.041 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc(Br)ccc1[O-] ZINC000283173962 498806910 /nfs/dbraw/zinc/80/69/10/498806910.db2.gz JJPRDNPGPKXEFZ-YGRLFVJLSA-N 0 1 353.260 3.007 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287656123 498827975 /nfs/dbraw/zinc/82/79/75/498827975.db2.gz LMHWKUNMOLFDOI-MSOLQXFVSA-N 0 1 353.938 3.358 20 10 FGCDMN CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ncccc3C)C2)c1O ZINC000367228774 499165294 /nfs/dbraw/zinc/16/52/94/499165294.db2.gz LOVQXMCFWNWJTE-KRWDZBQOSA-N 0 1 369.465 3.345 20 10 FGCDMN [O-]c1c(F)cccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000370177574 499193627 /nfs/dbraw/zinc/19/36/27/499193627.db2.gz ZKLBXCVFEWWHAQ-FOIQADDNSA-N 0 1 357.429 3.421 20 10 FGCDMN COCCC[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000370343216 499211670 /nfs/dbraw/zinc/21/16/70/499211670.db2.gz NKWACRZPPGLBEJ-RHSMWYFYSA-N 0 1 368.905 3.189 20 10 FGCDMN C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1cc(Cl)ccc1[O-] ZINC000368324497 499285571 /nfs/dbraw/zinc/28/55/71/499285571.db2.gz QUZWFPRIDWPHLR-NSHDSACASA-N 0 1 350.871 3.343 20 10 FGCDMN Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000373232986 499458997 /nfs/dbraw/zinc/45/89/97/499458997.db2.gz RTJKMRARPGXDKM-LBPRGKRZSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000373232986 499458998 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/nfs/dbraw/zinc/68/61/10/729686110.db2.gz SIFGQZMXDPFLAN-UHFFFAOYSA-N 0 1 354.237 3.241 20 10 FGCDMN COc1ccc(OC)c([C@H](O)C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840874002 730186346 /nfs/dbraw/zinc/18/63/46/730186346.db2.gz FNAKNVLTXVRWAU-QGZVFWFLSA-N 0 1 351.830 3.194 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCCN2C(=O)COc3ccccc32)c(Cl)c1 ZINC000840899351 730189259 /nfs/dbraw/zinc/18/92/59/730189259.db2.gz KVJIGWFTAHOHDW-UHFFFAOYSA-N 0 1 360.841 3.259 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)cc1[O-] ZINC000841743847 730269767 /nfs/dbraw/zinc/26/97/67/730269767.db2.gz CKUOORGDBPKOGQ-LBPRGKRZSA-N 0 1 353.871 3.441 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1[O-] ZINC000841758545 730271295 /nfs/dbraw/zinc/27/12/95/730271295.db2.gz SSARJWNHFAIKQZ-VXGBXAGGSA-N 0 1 351.855 3.267 20 10 FGCDMN [NH3+]C1(CNC(=O)NCc2cccc(Br)c2[O-])CCCCCC1 ZINC000841917000 730284499 /nfs/dbraw/zinc/28/44/99/730284499.db2.gz ZOJFADNOGRXNLS-UHFFFAOYSA-N 0 1 370.291 3.006 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C\c3cccc4c3CCC4)SC2=S)CC1 ZINC000844267761 730696413 /nfs/dbraw/zinc/69/64/13/730696413.db2.gz BIEJRJWKPHPNJU-SFQUDFHCSA-N 0 1 358.532 3.471 20 10 FGCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCCC2 ZINC000844665980 730748901 /nfs/dbraw/zinc/74/89/01/730748901.db2.gz YUXVGECONSZKAD-UHFFFAOYSA-N 0 1 351.449 3.240 20 10 FGCDMN COc1cc(Br)cc([C@H](C)NCc2ncccc2OC)c1O ZINC000848553524 731180623 /nfs/dbraw/zinc/18/06/23/731180623.db2.gz USUKWJPXOXGKOR-JTQLQIEISA-N 0 1 367.243 3.418 20 10 FGCDMN COc1ccc(N2CC[C@H](NCc3occc3Br)C2)cc1 ZINC000850347842 731345646 /nfs/dbraw/zinc/34/56/46/731345646.db2.gz YQFIBTNUCWZKTE-LBPRGKRZSA-N 0 1 351.244 3.419 20 10 FGCDMN COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000850494473 731364082 /nfs/dbraw/zinc/36/40/82/731364082.db2.gz RYBDXKJUPKUZLF-NHYWBVRUSA-N 0 1 358.276 3.247 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(Br)ccc1[O-] ZINC000850503644 731366072 /nfs/dbraw/zinc/36/60/72/731366072.db2.gz YGJIDLSYZUBSQU-SPQIJUHKSA-N 0 1 360.317 3.495 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000858119036 732182628 /nfs/dbraw/zinc/18/26/28/732182628.db2.gz JXGPOTGYXQPDRS-UHFFFAOYSA-N 0 1 367.209 3.271 20 10 FGCDMN Cn1nc2c(c1C[NH2+]Cc1c([O-])cccc1Br)CCCC2 ZINC000858166304 732188319 /nfs/dbraw/zinc/18/83/19/732188319.db2.gz HKBNLYDEIQWEDE-UHFFFAOYSA-N 0 1 350.260 3.057 20 10 FGCDMN Cn1nc2c(c1CNCc1c(O)cccc1Br)CCCC2 ZINC000858166304 732188322 /nfs/dbraw/zinc/18/83/22/732188322.db2.gz HKBNLYDEIQWEDE-UHFFFAOYSA-N 0 1 350.260 3.057 20 10 FGCDMN CCOc1ccc(O)c(CNCc2cc(Br)cnc2OC)c1 ZINC000858249334 732196892 /nfs/dbraw/zinc/19/68/92/732196892.db2.gz OMDGIHCQVMUADL-UHFFFAOYSA-N 0 1 367.243 3.247 20 10 FGCDMN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237906 732794457 /nfs/dbraw/zinc/79/44/57/732794457.db2.gz YPMZJHNFYJDYEI-CYBMUJFWSA-N 0 1 369.303 3.283 20 10 FGCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237906 732794464 /nfs/dbraw/zinc/79/44/64/732794464.db2.gz YPMZJHNFYJDYEI-CYBMUJFWSA-N 0 1 369.303 3.283 20 10 FGCDMN CN(C)c1cc(F)c(CN2CCC[C@@H](N3CCCC3=O)CC2)cc1F ZINC000862395294 732823693 /nfs/dbraw/zinc/82/36/93/732823693.db2.gz ZIDQHVHHBJMESE-OAHLLOKOSA-N 0 1 351.441 3.008 20 10 FGCDMN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1cc(Cl)c(F)cc1O ZINC000862475021 732839410 /nfs/dbraw/zinc/83/94/10/732839410.db2.gz WHPBGQKQMZDBPK-INIZCTEOSA-N 0 1 367.804 3.067 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c(Cl)c1 ZINC000865816093 733274848 /nfs/dbraw/zinc/27/48/48/733274848.db2.gz ZDGZUECDMLSSGD-UHFFFAOYSA-N 0 1 359.857 3.169 20 10 FGCDMN Cc1cccc(O)c1CN(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000876642352 736125330 /nfs/dbraw/zinc/12/53/30/736125330.db2.gz YAPFBOMNZMOSPX-UHFFFAOYSA-N 0 1 363.479 3.005 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1oc(CN)cc1C ZINC000876698827 736133260 /nfs/dbraw/zinc/13/32/60/736133260.db2.gz MXNJYDIZPBAYCF-UHFFFAOYSA-N 0 1 367.243 3.177 20 10 FGCDMN CCOc1ccc(C(=O)N(C)C)cc1NCc1ccc(F)c(F)c1O ZINC000876870208 736156248 /nfs/dbraw/zinc/15/62/48/736156248.db2.gz LFZMNNIRXHQXCX-UHFFFAOYSA-N 0 1 350.365 3.383 20 10 FGCDMN CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881853487 737390416 /nfs/dbraw/zinc/39/04/16/737390416.db2.gz YBAFGAKLHGZDMN-HNNXBMFYSA-N 0 1 357.420 3.033 20 10 FGCDMN NC(=O)C1CCN(c2ccc(CNCc3ccsc3Cl)cc2)CC1 ZINC000886325030 739244022 /nfs/dbraw/zinc/24/40/22/739244022.db2.gz QREYYZCDSBXKRL-UHFFFAOYSA-N 0 1 363.914 3.393 20 10 FGCDMN Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)[nH]1 ZINC000894094955 742237947 /nfs/dbraw/zinc/23/79/47/742237947.db2.gz OXJQYHYVBYRGKH-SNVBAGLBSA-N 0 1 369.238 3.100 20 10 FGCDMN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000894094955 742237950 /nfs/dbraw/zinc/23/79/50/742237950.db2.gz OXJQYHYVBYRGKH-SNVBAGLBSA-N 0 1 369.238 3.100 20 10 FGCDMN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000894094955 742237952 /nfs/dbraw/zinc/23/79/52/742237952.db2.gz OXJQYHYVBYRGKH-SNVBAGLBSA-N 0 1 369.238 3.100 20 10 FGCDMN C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894107768 742240360 /nfs/dbraw/zinc/24/03/60/742240360.db2.gz QUGFUWJQVQOBOJ-UKRRQHHQSA-N 0 1 365.905 3.498 20 10 FGCDMN C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894107768 742240363 /nfs/dbraw/zinc/24/03/63/742240363.db2.gz QUGFUWJQVQOBOJ-UKRRQHHQSA-N 0 1 365.905 3.498 20 10 FGCDMN Oc1cc(Cl)cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000894843341 742341737 /nfs/dbraw/zinc/34/17/37/742341737.db2.gz MBZGMKQTNMTPRS-UHFFFAOYSA-N 0 1 368.811 3.450 20 10 FGCDMN C[C@@]1([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)COC(=O)N1 ZINC000896396348 742545247 /nfs/dbraw/zinc/54/52/47/742545247.db2.gz OVMXAZDMXBFCJB-ZBEGNZNMSA-N 0 1 359.253 3.410 20 10 FGCDMN COc1ccc(Cl)c(NC(=S)NCc2cc(N(C)C)ccn2)c1 ZINC000905617743 744036982 /nfs/dbraw/zinc/03/69/82/744036982.db2.gz JBZRIMHYWFVZEE-UHFFFAOYSA-N 0 1 350.875 3.296 20 10 FGCDMN CN(C)c1ccc(CN(CC(=O)N(C)Cc2cccs2)C2CC2)cc1 ZINC000917073793 758173625 /nfs/dbraw/zinc/17/36/25/758173625.db2.gz AVVJNSPXIGFHQJ-UHFFFAOYSA-N 0 1 357.523 3.437 20 10 FGCDMN CCOCc1cc(CN[C@H]2CCN(Cc3ccccc3)C2=O)ccc1OC ZINC000051188619 493952989 /nfs/dbraw/zinc/95/29/89/493952989.db2.gz GSRCQYPIFJINMC-FQEVSTJZSA-N 0 1 368.477 3.122 20 10 FGCDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000082991935 493985499 /nfs/dbraw/zinc/98/54/99/493985499.db2.gz NZJMBNMEPXTKFW-UHFFFAOYSA-N 0 1 373.522 3.092 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000079438205 494455135 /nfs/dbraw/zinc/45/51/35/494455135.db2.gz CEZNTZHZBRYFBS-CQSZACIVSA-N 0 1 368.412 3.156 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000079438205 494455140 /nfs/dbraw/zinc/45/51/40/494455140.db2.gz CEZNTZHZBRYFBS-CQSZACIVSA-N 0 1 368.412 3.156 20 10 FGCDMN Cc1ncsc1C(=O)N1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000057104788 494642971 /nfs/dbraw/zinc/64/29/71/494642971.db2.gz RTMFNFSOTUHAOE-UHFFFAOYSA-N 0 1 359.495 3.122 20 10 FGCDMN O=C(c1cccc2[nH]cnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000154167066 495532756 /nfs/dbraw/zinc/53/27/56/495532756.db2.gz QGXQOAZAYXYHRC-HNNXBMFYSA-N 0 1 351.406 3.090 20 10 FGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1[O-] ZINC000179569540 495643864 /nfs/dbraw/zinc/64/38/64/495643864.db2.gz ZBXUXZYPJFAVAH-IBGZPJMESA-N 0 1 370.424 3.187 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2ccccc2c1[O-] ZINC000186082194 495848657 /nfs/dbraw/zinc/84/86/57/495848657.db2.gz FYYKQPHWEAKAFA-KSSFIOAISA-N 0 1 364.449 3.125 20 10 FGCDMN CC[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccccc1O ZINC000157424423 496475286 /nfs/dbraw/zinc/47/52/86/496475286.db2.gz JCIMZCOKTJDUJC-RBUKOAKNSA-N 0 1 353.466 3.405 20 10 FGCDMN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185007061 496619042 /nfs/dbraw/zinc/61/90/42/496619042.db2.gz ACJZVIMKDNWBDH-MRXNPFEDSA-N 0 1 369.509 3.187 20 10 FGCDMN C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Br)cc1[O-] ZINC000185062017 496643237 /nfs/dbraw/zinc/64/32/37/496643237.db2.gz XGOOMXHCOVYSFS-LBPRGKRZSA-N 0 1 355.276 3.208 20 10 FGCDMN COc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])ccc1OCCO ZINC000273303822 496769643 /nfs/dbraw/zinc/76/96/43/496769643.db2.gz CERCSPUHKFHYQS-LBPRGKRZSA-N 0 1 351.830 3.276 20 10 FGCDMN COc1c([O-])c(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278938323 497273633 /nfs/dbraw/zinc/27/36/33/497273633.db2.gz XHSBPLONIMFVRX-IAGOWNOFSA-N 0 1 358.394 3.319 20 10 FGCDMN Nc1nc(Cl)cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301209399 498000963 /nfs/dbraw/zinc/00/09/63/498000963.db2.gz SUKDBYMZDDYFAG-LBPRGKRZSA-N 0 1 368.268 3.148 20 10 FGCDMN Nc1nc(Cl)cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301209399 498000969 /nfs/dbraw/zinc/00/09/69/498000969.db2.gz SUKDBYMZDDYFAG-LBPRGKRZSA-N 0 1 368.268 3.148 20 10 FGCDMN Cc1nn(C(C)C)cc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281265546 498079168 /nfs/dbraw/zinc/07/91/68/498079168.db2.gz HDBGSCMARCXMHD-UHFFFAOYSA-N 0 1 360.477 3.162 20 10 FGCDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296550549 498090247 /nfs/dbraw/zinc/09/02/47/498090247.db2.gz OQSGLOORYZGOEB-GOSISDBHSA-N 0 1 360.498 3.077 20 10 FGCDMN CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000281294533 498093030 /nfs/dbraw/zinc/09/30/30/498093030.db2.gz YHGWVFHHKSSTNY-AAEUAGOBSA-N 0 1 355.276 3.064 20 10 FGCDMN CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1cc(Br)ccc1[O-] ZINC000290418417 498544750 /nfs/dbraw/zinc/54/47/50/498544750.db2.gz UQKXFQFWCMNRII-ZDUSSCGKSA-N 0 1 364.305 3.019 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc(Br)ccc1[O-] ZINC000283173955 498806801 /nfs/dbraw/zinc/80/68/01/498806801.db2.gz JJPRDNPGPKXEFZ-HZMBPMFUSA-N 0 1 353.260 3.007 20 10 FGCDMN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287656125 498827910 /nfs/dbraw/zinc/82/79/10/498827910.db2.gz LMHWKUNMOLFDOI-QZTJIDSGSA-N 0 1 353.938 3.358 20 10 FGCDMN COc1cccc(-n2cc(CN[C@H](C)c3ccc(C)c(C)c3O)nn2)c1 ZINC000366673295 499028571 /nfs/dbraw/zinc/02/85/71/499028571.db2.gz DLMKXCSAZKGZLM-OAHLLOKOSA-N 0 1 352.438 3.449 20 10 FGCDMN Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C2 ZINC000363862447 499028835 /nfs/dbraw/zinc/02/88/35/499028835.db2.gz YYZVBSHVMPKNGQ-DGCLKSJQSA-N 0 1 350.260 3.325 20 10 FGCDMN CCc1nc([C@H]2CCCN(Cc3cc(Cl)cc(OC)c3O)C2)no1 ZINC000368708853 499324295 /nfs/dbraw/zinc/32/42/95/499324295.db2.gz XXPQEUSEEJPLPZ-NSHDSACASA-N 0 1 351.834 3.379 20 10 FGCDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCc1ccc3c(c1)CCCN3C)C2 ZINC000372457065 499437375 /nfs/dbraw/zinc/43/73/75/499437375.db2.gz XNZSJDDCNWBXLE-KRWDZBQOSA-N 0 1 366.509 3.337 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000375418845 499516499 /nfs/dbraw/zinc/51/64/99/499516499.db2.gz ZIAJFLJKHUCANW-JTQLQIEISA-N 0 1 364.789 3.204 20 10 FGCDMN Cn1c(Cl)cnc1CN1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000378441492 499517010 /nfs/dbraw/zinc/51/70/10/499517010.db2.gz GVNUFRLPRLGZPI-UHFFFAOYSA-N 0 1 369.296 3.140 20 10 FGCDMN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000376212579 499591590 /nfs/dbraw/zinc/59/15/90/499591590.db2.gz UURUKNTWTWDQFT-HOTGVXAUSA-N 0 1 367.287 3.130 20 10 FGCDMN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000376212579 499591592 /nfs/dbraw/zinc/59/15/92/499591592.db2.gz UURUKNTWTWDQFT-HOTGVXAUSA-N 0 1 367.287 3.130 20 10 FGCDMN COC1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000435661375 501007868 /nfs/dbraw/zinc/00/78/68/501007868.db2.gz DPQJXYDCFQGLOS-UHFFFAOYSA-N 0 1 369.509 3.045 20 10 FGCDMN CSC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435874214 501040337 /nfs/dbraw/zinc/04/03/37/501040337.db2.gz IDKKKZMAHVXQDN-OAHLLOKOSA-N 0 1 359.539 3.276 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CSC2(C)C)C1 ZINC000582499213 506259161 /nfs/dbraw/zinc/25/91/61/506259161.db2.gz NLZHTCSXEFVFTJ-IBGZPJMESA-N 0 1 371.550 3.418 20 10 FGCDMN CCN(C[C@H](C)OC)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000462863181 502604574 /nfs/dbraw/zinc/60/45/74/502604574.db2.gz ROPCJCWHIOPUCG-KRWDZBQOSA-N 0 1 371.525 3.291 20 10 FGCDMN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCCc4cn[nH]c43)ccc21 ZINC000531992829 504497908 /nfs/dbraw/zinc/49/79/08/504497908.db2.gz UCQOEEHQOCTCNJ-SFHVURJKSA-N 0 1 366.465 3.435 20 10 FGCDMN COCCc1noc(CC2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000529639703 504750291 /nfs/dbraw/zinc/75/02/91/504750291.db2.gz JMMVHQZUWPBAHD-UHFFFAOYSA-N 0 1 365.861 3.072 20 10 FGCDMN CN1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737519206 600461429 /nfs/dbraw/zinc/46/14/29/600461429.db2.gz HYZVVYKHAIWEID-OALUTQOASA-N 0 1 354.450 3.302 20 10 FGCDMN O=C([O-])c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 ZINC000740133222 600525151 /nfs/dbraw/zinc/52/51/51/600525151.db2.gz ZGXBJIKLLLGEIP-UHFFFAOYSA-N 0 1 359.382 3.166 20 10 FGCDMN CC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1cc(Br)ccc1O ZINC000829718724 600856888 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O=C([N-]CCC[N@H+](Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000091619247 700422920 /nfs/dbraw/zinc/42/29/20/700422920.db2.gz WGDMMZIZAOXIET-UHFFFAOYSA-N 0 1 356.344 3.056 20 10 FGCDMN O=C([N-]CCC[N@@H+](Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000091619247 700422925 /nfs/dbraw/zinc/42/29/25/700422925.db2.gz WGDMMZIZAOXIET-UHFFFAOYSA-N 0 1 356.344 3.056 20 10 FGCDMN O=C(Nc1ccccn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000109846978 700537245 /nfs/dbraw/zinc/53/72/45/700537245.db2.gz UXYAOKHHQUMKLE-OAHLLOKOSA-N 0 1 360.845 3.227 20 10 FGCDMN COc1cc([C@H](C)[NH2+]Cc2c([O-])cccc2Cl)ccc1OCCO ZINC000113327101 700571052 /nfs/dbraw/zinc/57/10/52/700571052.db2.gz QUUPOMDKWVYBDY-LBPRGKRZSA-N 0 1 351.830 3.276 20 10 FGCDMN CCCN(Cc1cc(C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000122354362 700688452 /nfs/dbraw/zinc/68/84/52/700688452.db2.gz LYOAVUNNZYMBIS-INIZCTEOSA-N 0 1 353.528 3.397 20 10 FGCDMN CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000128838087 700780336 /nfs/dbraw/zinc/78/03/36/700780336.db2.gz 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C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756398480 722963951 /nfs/dbraw/zinc/96/39/51/722963951.db2.gz IOBBOZOZJKJSBK-GFCCVEGCSA-N 0 1 360.329 3.376 20 10 FGCDMN Cc1ccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000761981918 723203553 /nfs/dbraw/zinc/20/35/53/723203553.db2.gz JRTOLFMPENWXSK-INIZCTEOSA-N 0 1 362.857 3.270 20 10 FGCDMN O=C([N-][C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)C(F)F ZINC000761982544 723203641 /nfs/dbraw/zinc/20/36/41/723203641.db2.gz MYAQJSQTYQRESZ-LLVKDONJSA-N 0 1 368.758 3.027 20 10 FGCDMN CSc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000792703019 723358602 /nfs/dbraw/zinc/35/86/02/723358602.db2.gz NXVWBWUGONFFEI-UHFFFAOYSA-N 0 1 354.409 3.132 20 10 FGCDMN CCc1cc(CN2CC[C@@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793701449 723461865 /nfs/dbraw/zinc/46/18/65/723461865.db2.gz UIDACNXGNPTRKE-OAHLLOKOSA-N 0 1 353.528 3.119 20 10 FGCDMN Cc1cc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766671304 723585810 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FGCDMN CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])CC1 ZINC000775491688 723995726 /nfs/dbraw/zinc/99/57/26/723995726.db2.gz HHFAAFYMNQKTTI-KRWDZBQOSA-N 0 1 367.921 3.077 20 10 FGCDMN CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)ccc1[O-] ZINC000775506713 723996625 /nfs/dbraw/zinc/99/66/25/723996625.db2.gz CNNAUWCMBXIVCU-ZDUSSCGKSA-N 0 1 355.276 3.241 20 10 FGCDMN Cc1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000805100432 725049493 /nfs/dbraw/zinc/04/94/93/725049493.db2.gz CAIHKBSZGXZNCG-UHFFFAOYSA-N 0 1 354.237 3.444 20 10 FGCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cncc(Cl)c1 ZINC000805135618 725052222 /nfs/dbraw/zinc/05/22/22/725052222.db2.gz PAHGHIJKKDWBKL-UHFFFAOYSA-N 0 1 367.641 3.226 20 10 FGCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1F ZINC000805135815 725052418 /nfs/dbraw/zinc/05/24/18/725052418.db2.gz UHKOWFIWIOKJLO-UHFFFAOYSA-N 0 1 368.188 3.456 20 10 FGCDMN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1[O-] ZINC000806149889 725118159 /nfs/dbraw/zinc/11/81/59/725118159.db2.gz 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725184192 /nfs/dbraw/zinc/18/41/92/725184192.db2.gz HXSNBXCMGQGSKP-UHFFFAOYSA-N 0 1 374.777 3.164 20 10 FGCDMN COc1ccc(CNCc2c(C)nn(-c3ccccn3)c2Cl)c(O)c1 ZINC000809658851 725257018 /nfs/dbraw/zinc/25/70/18/725257018.db2.gz XWLXBNANMLICBG-UHFFFAOYSA-N 0 1 358.829 3.233 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000809713633 725261598 /nfs/dbraw/zinc/26/15/98/725261598.db2.gz VTTUORDBEQCXAH-UHFFFAOYSA-N 0 1 350.138 3.186 20 10 FGCDMN CCN(C)C(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC000809723440 725262931 /nfs/dbraw/zinc/26/29/31/725262931.db2.gz WODPSZQUFADXDI-OAHLLOKOSA-N 0 1 370.877 3.497 20 10 FGCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000809778199 725268013 /nfs/dbraw/zinc/26/80/13/725268013.db2.gz MBLRTHHCYBIGGL-AWEZNQCLSA-N 0 1 369.303 3.201 20 10 FGCDMN COc1ccc(C[C@](C)(O)C[NH2+]Cc2cc(Cl)ccc2[O-])cc1OC ZINC000810174075 725294615 /nfs/dbraw/zinc/29/46/15/725294615.db2.gz PKSDJWYLDVLCNN-IBGZPJMESA-N 0 1 365.857 3.146 20 10 FGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(CCF)CC1 ZINC000810631662 725318776 /nfs/dbraw/zinc/31/87/76/725318776.db2.gz MXNYKXGPHNZEHJ-OAHLLOKOSA-N 0 1 354.853 3.266 20 10 FGCDMN CC(C)OCc1nc([C@@H](C)NCc2cccc(Br)c2O)no1 ZINC000811517748 725372216 /nfs/dbraw/zinc/37/22/16/725372216.db2.gz BJXTWXWORKUZQR-SNVBAGLBSA-N 0 1 370.247 3.314 20 10 FGCDMN O=C(CNC(=O)Nc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000813685265 726905324 /nfs/dbraw/zinc/90/53/24/726905324.db2.gz VGNUJTXEYLZXHA-UHFFFAOYSA-N 0 1 368.220 3.137 20 10 FGCDMN O=C(Cn1cc2ccccc2n1)NCc1cc(Cl)cc(Cl)c1O ZINC000813685736 726905346 /nfs/dbraw/zinc/90/53/46/726905346.db2.gz PZRNEFIGYQKTFX-UHFFFAOYSA-N 0 1 350.205 3.365 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H](C)CO ZINC000814168993 726943963 /nfs/dbraw/zinc/94/39/63/726943963.db2.gz AKCPPJDSIOWVHV-MRVPVSSYSA-N 0 1 367.081 3.120 20 10 FGCDMN Cc1nsc(N2CCC[N@H+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000816515857 727170430 /nfs/dbraw/zinc/17/04/30/727170430.db2.gz MYRISXOUPWJZKJ-UHFFFAOYSA-N 0 1 354.479 3.418 20 10 FGCDMN Cc1nsc(N2CCC[N@@H+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000816515857 727170433 /nfs/dbraw/zinc/17/04/33/727170433.db2.gz MYRISXOUPWJZKJ-UHFFFAOYSA-N 0 1 354.479 3.418 20 10 FGCDMN CCOC(=O)[C@@H](Cc1ccccc1)NCc1cc(Cl)c(F)cc1O ZINC000816528937 727171956 /nfs/dbraw/zinc/17/19/56/727171956.db2.gz YPJIAVCSAIAGFY-MRXNPFEDSA-N 0 1 351.805 3.449 20 10 FGCDMN COC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccc(OC)cc1 ZINC000816574448 727177230 /nfs/dbraw/zinc/17/72/30/727177230.db2.gz HZERDZSYJQJNMT-INIZCTEOSA-N 0 1 353.777 3.197 20 10 FGCDMN CCCC(=O)NC1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824596513 729349744 /nfs/dbraw/zinc/34/97/44/729349744.db2.gz FMHXTKPMYMQKCC-UHFFFAOYSA-N 0 1 355.276 3.035 20 10 FGCDMN CCCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824596513 729349745 /nfs/dbraw/zinc/34/97/45/729349745.db2.gz FMHXTKPMYMQKCC-UHFFFAOYSA-N 0 1 355.276 3.035 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000825358375 729380321 /nfs/dbraw/zinc/38/03/21/729380321.db2.gz QWAFVVDUKNECIS-ZDUSSCGKSA-N 0 1 366.234 3.057 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@@H](O)Cc1ccccc1 ZINC000825371295 729380710 /nfs/dbraw/zinc/38/07/10/729380710.db2.gz VSLHAXBRMIFLCD-LRDDRELGSA-N 0 1 350.256 3.236 20 10 FGCDMN Nc1nc2c(c(NCc3ccc(N4CCSCC4)cc3)n1)CCCC2 ZINC000825604279 729389185 /nfs/dbraw/zinc/38/91/85/729389185.db2.gz YSDCUPDEEYNOPL-UHFFFAOYSA-N 0 1 355.511 3.103 20 10 FGCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C[C@H](O)Cc1ccccc1 ZINC000826003860 729401929 /nfs/dbraw/zinc/40/19/29/729401929.db2.gz XYNAMZXGDDNDTM-MRXNPFEDSA-N 0 1 350.256 3.190 20 10 FGCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C[C@H](O)Cc1ccccc1 ZINC000826003860 729401930 /nfs/dbraw/zinc/40/19/30/729401930.db2.gz XYNAMZXGDDNDTM-MRXNPFEDSA-N 0 1 350.256 3.190 20 10 FGCDMN O=S(=O)(CC1CC(F)(F)C1)NCc1cc(Cl)cc(Cl)c1O ZINC000831543697 729649756 /nfs/dbraw/zinc/64/97/56/729649756.db2.gz MXXFYYVHOMPXFB-UHFFFAOYSA-N 0 1 360.209 3.164 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(Br)ccc1[O-] ZINC000834851022 729839067 /nfs/dbraw/zinc/83/90/67/729839067.db2.gz SEAIHIOGVNDTFV-GOEBONIOSA-N 0 1 371.319 3.042 20 10 FGCDMN CC[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000834914009 729846195 /nfs/dbraw/zinc/84/61/95/729846195.db2.gz KBFLKSQWOUBWJC-SNPRPXQTSA-N 0 1 367.287 3.349 20 10 FGCDMN C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Br)c1[O-] ZINC000835078384 729856870 /nfs/dbraw/zinc/85/68/70/729856870.db2.gz QTGDLJQHTXHFAL-UHFFFAOYSA-N 0 1 359.264 3.111 20 10 FGCDMN Cc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1C ZINC000840906971 730189678 /nfs/dbraw/zinc/18/96/78/730189678.db2.gz YQMSYMKLBUEUEX-AWEZNQCLSA-N 0 1 350.413 3.089 20 10 FGCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2[O-])C[C@H]1C1CC1 ZINC000846124029 730930592 /nfs/dbraw/zinc/93/05/92/730930592.db2.gz VWPCHWLLVXFELC-UONOGXRCSA-N 0 1 368.271 3.094 20 10 FGCDMN C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000850411696 731353959 /nfs/dbraw/zinc/35/39/59/731353959.db2.gz ILTRXCOIOYGWIB-PXAZEXFGSA-N 0 1 350.256 3.409 20 10 FGCDMN CC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cc(Br)ccc1O ZINC000850499312 731364929 /nfs/dbraw/zinc/36/49/29/731364929.db2.gz MYINKENYELGILF-ICCXJUOJSA-N 0 1 351.248 3.493 20 10 FGCDMN CC[C@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850559097 731373038 /nfs/dbraw/zinc/37/30/38/731373038.db2.gz XIDDTJWCGYUEND-ZDUSSCGKSA-N 0 1 365.417 3.419 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(Br)cc1[O-] ZINC000850559702 731373142 /nfs/dbraw/zinc/37/31/42/731373142.db2.gz ANXRUAOSTLVVTO-YVEFUNNKSA-N 0 1 372.303 3.373 20 10 FGCDMN CO[C@H](CC(C)C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000857471839 732133169 /nfs/dbraw/zinc/13/31/69/732133169.db2.gz CCDSSWCJFMKGIR-SJLPKXTDSA-N 0 1 368.905 3.187 20 10 FGCDMN OC1CCN(c2ccc(CN[C@@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000857914403 732168815 /nfs/dbraw/zinc/16/88/15/732168815.db2.gz KIGOJEIGQCORLQ-GOSISDBHSA-N 0 1 357.885 3.473 20 10 FGCDMN C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c([O-])cccc2Br)C[C@H](C)O1 ZINC000858089988 732179252 /nfs/dbraw/zinc/17/92/52/732179252.db2.gz HFIVQAGYWRDOBL-BETUJISGSA-N 0 1 371.319 3.132 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000858151159 732186451 /nfs/dbraw/zinc/18/64/51/732186451.db2.gz WAPZPUSFEVMZJI-NHYWBVRUSA-N 0 1 358.301 3.299 20 10 FGCDMN C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000858195391 732191312 /nfs/dbraw/zinc/19/13/12/732191312.db2.gz VDLFRRRFROEOTG-SJCJKPOMSA-N 0 1 350.256 3.409 20 10 FGCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H]2CCC[C@H]21 ZINC000859951080 732421640 /nfs/dbraw/zinc/42/16/40/732421640.db2.gz JIYPGYZJDAPWEA-ZMSDIMECSA-N 0 1 365.857 3.412 20 10 FGCDMN CC(C)(C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1)C(N)=O ZINC000862383432 732820977 /nfs/dbraw/zinc/82/09/77/732820977.db2.gz SKALSBBWSYOJHQ-LBPRGKRZSA-N 0 1 369.303 3.268 20 10 FGCDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1)C(N)=O ZINC000862383432 732820980 /nfs/dbraw/zinc/82/09/80/732820980.db2.gz SKALSBBWSYOJHQ-LBPRGKRZSA-N 0 1 369.303 3.268 20 10 FGCDMN C[NH+]1CCC(n2cc(NCc3cccc(Br)c3[O-])cn2)CC1 ZINC000865702567 733254183 /nfs/dbraw/zinc/25/41/83/733254183.db2.gz FIENTVNRQKZJDD-UHFFFAOYSA-N 0 1 365.275 3.230 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1[O-] ZINC000866531279 733361284 /nfs/dbraw/zinc/36/12/84/733361284.db2.gz FHXZACVQPSMMHS-JSGCOSHPSA-N 0 1 370.287 3.391 20 10 FGCDMN CN(C)c1ccc(CNC(=O)[C@@H](N)c2cccc(C(F)(F)F)c2)cc1 ZINC000876713810 736135564 /nfs/dbraw/zinc/13/55/64/736135564.db2.gz TZIVBUQLELPRMX-INIZCTEOSA-N 0 1 351.372 3.088 20 10 FGCDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1)CC(F)(F)F ZINC000876781853 736143838 /nfs/dbraw/zinc/14/38/38/736143838.db2.gz OCSFHGKQTFJOTF-NSHDSACASA-N 0 1 352.347 3.377 20 10 FGCDMN Nc1c(Cl)cccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876965876 736168482 /nfs/dbraw/zinc/16/84/82/736168482.db2.gz MJYCSEFBPKIENQ-UHFFFAOYSA-N 0 1 363.864 3.312 20 10 FGCDMN CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000896963359 742622691 /nfs/dbraw/zinc/62/26/91/742622691.db2.gz PHLKGTSZZDFZCN-UHFFFAOYSA-N 0 1 367.314 3.378 20 10 FGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000897539460 742686956 /nfs/dbraw/zinc/68/69/56/742686956.db2.gz DANCEIAAIBLPHD-UHFFFAOYSA-N 0 1 363.832 3.338 20 10 FGCDMN C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(Br)cc1[O-] ZINC000903347387 743839780 /nfs/dbraw/zinc/83/97/80/743839780.db2.gz NKZIARMOKFCROU-LBPRGKRZSA-N 0 1 370.287 3.127 20 10 FGCDMN c1ccc2nc(CNCc3ccc(N4CCSCC4)cc3)cnc2c1 ZINC000917432158 758221240 /nfs/dbraw/zinc/22/12/40/758221240.db2.gz SJCLKNXJGGCRPC-UHFFFAOYSA-N 0 1 350.491 3.473 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000925785616 759537742 /nfs/dbraw/zinc/53/77/42/759537742.db2.gz VCCAMOLJRWWJPK-BDAKNGLRSA-N 0 1 367.209 3.189 20 10 FGCDMN Cn1nc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C1CC1 ZINC000927660314 760024849 /nfs/dbraw/zinc/02/48/49/760024849.db2.gz OUWJSKWJMUVACX-UHFFFAOYSA-N 0 1 369.252 3.309 20 10 FGCDMN Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)no1 ZINC000577016815 505645696 /nfs/dbraw/zinc/64/56/96/505645696.db2.gz DIRJDKKLXSMBMU-UHFFFAOYSA-N 0 1 366.465 3.021 20 10 FGCDMN Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)no1 ZINC000577016815 505645700 /nfs/dbraw/zinc/64/57/00/505645700.db2.gz DIRJDKKLXSMBMU-UHFFFAOYSA-N 0 1 366.465 3.021 20 10 FGCDMN O=c1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)[n-]c2ccsc21 ZINC000070976334 494077150 /nfs/dbraw/zinc/07/71/50/494077150.db2.gz JRISNPJWKTUTOP-CQSZACIVSA-N 0 1 371.462 3.284 20 10 FGCDMN O=c1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)[n-]c2ccsc21 ZINC000070976334 494077155 /nfs/dbraw/zinc/07/71/55/494077155.db2.gz JRISNPJWKTUTOP-CQSZACIVSA-N 0 1 371.462 3.284 20 10 FGCDMN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cccc(OC)c1O ZINC000093480533 494895788 /nfs/dbraw/zinc/89/57/88/494895788.db2.gz QTHAQIHMDFNUBQ-QGZVFWFLSA-N 0 1 370.449 3.321 20 10 FGCDMN COCCCOC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000093561240 494900706 /nfs/dbraw/zinc/90/07/06/494900706.db2.gz OUKGEHGVCHPRSU-UHFFFAOYSA-N 0 1 358.276 3.172 20 10 FGCDMN CN(Cc1cccs1)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971041 495017774 /nfs/dbraw/zinc/01/77/74/495017774.db2.gz RPOKUMRFNGLDEA-KRWDZBQOSA-N 0 1 374.506 3.093 20 10 FGCDMN CN(Cc1cccs1)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971042 495017847 /nfs/dbraw/zinc/01/78/47/495017847.db2.gz RPOKUMRFNGLDEA-QGZVFWFLSA-N 0 1 374.506 3.093 20 10 FGCDMN Cc1cccnc1[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000118840074 495045719 /nfs/dbraw/zinc/04/57/19/495045719.db2.gz ZDYJMBOSMFFXJI-FQEVSTJZSA-N 0 1 354.498 3.059 20 10 FGCDMN C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000183006714 495795660 /nfs/dbraw/zinc/79/56/60/495795660.db2.gz ACVGRMFOQDJQOA-IIBYNOLFSA-N 0 1 366.509 3.375 20 10 FGCDMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cc(F)ccc1O ZINC000186350167 495959876 /nfs/dbraw/zinc/95/98/76/495959876.db2.gz XMMXGZADYWDEDS-SCLBCKFNSA-N 0 1 357.429 3.154 20 10 FGCDMN Oc1c(Cl)cccc1CN1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000180705248 496111536 /nfs/dbraw/zinc/11/15/36/496111536.db2.gz WHKKUALNAYFSMQ-HIFRSBDPSA-N 0 1 353.871 3.432 20 10 FGCDMN CCOc1ccc(O)c(CNC(C)(C)c2cn(-c3ccccc3)nn2)c1 ZINC000154044886 496666158 /nfs/dbraw/zinc/66/61/58/496666158.db2.gz XXFXPSSHJTZJJA-UHFFFAOYSA-N 0 1 352.438 3.397 20 10 FGCDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n[nH]1 ZINC000276783553 497652304 /nfs/dbraw/zinc/65/23/04/497652304.db2.gz ASZFJCKJSAFPLT-CABCVRRESA-N 0 1 368.485 3.255 20 10 FGCDMN COc1cccc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280154365 497665335 /nfs/dbraw/zinc/66/53/35/497665335.db2.gz DXBQFPRAYDCFNN-ZDUSSCGKSA-N 0 1 357.328 3.123 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cc(Br)ccc1[O-] ZINC000280890548 497937554 /nfs/dbraw/zinc/93/75/54/497937554.db2.gz FBERNFBKVFUGGT-XJKSGUPXSA-N 0 1 369.303 3.454 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc2ccccc2c1[O-] ZINC000360167317 498252127 /nfs/dbraw/zinc/25/21/27/498252127.db2.gz ZQGQSZCUOPAAPU-LIRRHRJNSA-N 0 1 351.450 3.462 20 10 FGCDMN COc1c([O-])c(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000295137252 498923014 /nfs/dbraw/zinc/92/30/14/498923014.db2.gz YZXZPBXCULILLW-OAHLLOKOSA-N 0 1 366.801 3.128 20 10 FGCDMN COc1c([O-])c(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000295137252 498923015 /nfs/dbraw/zinc/92/30/15/498923015.db2.gz YZXZPBXCULILLW-OAHLLOKOSA-N 0 1 366.801 3.128 20 10 FGCDMN COC1CCN(c2ccc(C[N@@H+]3CC=C(c4ccnn4C)CC3)cc2)CC1 ZINC000295331552 498981888 /nfs/dbraw/zinc/98/18/88/498981888.db2.gz PALUVJJMMHOIFD-UHFFFAOYSA-N 0 1 366.509 3.325 20 10 FGCDMN CCCNC(=O)CN(CCC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295417224 499011348 /nfs/dbraw/zinc/01/13/48/499011348.db2.gz DQZWJUBHXSBTPW-UHFFFAOYSA-N 0 1 361.530 3.040 20 10 FGCDMN Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C2 ZINC000363871025 499033507 /nfs/dbraw/zinc/03/35/07/499033507.db2.gz ZIXWEVCUDAXDCF-HZMBPMFUSA-N 0 1 362.271 3.461 20 10 FGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366791794 499075986 /nfs/dbraw/zinc/07/59/86/499075986.db2.gz DETNBWWOZVWHHM-PSTGCABASA-N 0 1 370.833 3.112 20 10 FGCDMN O=C(NCc1cnc2n1CCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000376412558 499606949 /nfs/dbraw/zinc/60/69/49/499606949.db2.gz ICYCOQUYZGVULR-UHFFFAOYSA-N 0 1 369.252 3.231 20 10 FGCDMN CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693040 499720551 /nfs/dbraw/zinc/72/05/51/499720551.db2.gz CGKFDJZKBVSVSJ-PBHICJAKSA-N 0 1 356.470 3.148 20 10 FGCDMN CN1CCN([C@H]2CCCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377698026 499721676 /nfs/dbraw/zinc/72/16/76/499721676.db2.gz PGFUDXHMCUCYDX-INIZCTEOSA-N 0 1 372.340 3.301 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Br)cc(F)c1[O-] ZINC000377796398 499735529 /nfs/dbraw/zinc/73/55/29/499735529.db2.gz NLGCMNVKGLPEQB-WPRPVWTQSA-N 0 1 354.223 3.225 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1[O-] ZINC000528639971 504305978 /nfs/dbraw/zinc/30/59/78/504305978.db2.gz MSQJXULLECJLKM-INIZCTEOSA-N 0 1 367.873 3.002 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1[O-] ZINC000528639971 504305985 /nfs/dbraw/zinc/30/59/85/504305985.db2.gz MSQJXULLECJLKM-INIZCTEOSA-N 0 1 367.873 3.002 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CSC[C@@H]2C)C1 ZINC000552669027 505530008 /nfs/dbraw/zinc/53/00/08/505530008.db2.gz YMXRNNXEBDTTFF-MAUKXSAKSA-N 0 1 371.550 3.276 20 10 FGCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(=O)[nH]c2)C1 ZINC000562269292 505557646 /nfs/dbraw/zinc/55/76/46/505557646.db2.gz NIBTUNUQNWQSSU-UHFFFAOYSA-N 0 1 364.449 3.147 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(=O)[nH]c2)C1 ZINC000562269292 505557649 /nfs/dbraw/zinc/55/76/49/505557649.db2.gz NIBTUNUQNWQSSU-UHFFFAOYSA-N 0 1 364.449 3.147 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(C3CC3)C2)C1 ZINC000643285373 568527554 /nfs/dbraw/zinc/52/75/54/568527554.db2.gz HGUDQYCRMUTUQH-UHFFFAOYSA-N 0 1 351.494 3.276 20 10 FGCDMN Cc1cc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)o2)c(C)n1-c1ccccc1 ZINC000822200123 599397087 /nfs/dbraw/zinc/39/70/87/599397087.db2.gz VKGSHEKXXSTARN-UHFFFAOYSA-N 0 1 362.437 3.200 20 10 FGCDMN COc1ccc(N2CCC[N@@H+](Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000832383764 601621225 /nfs/dbraw/zinc/62/12/25/601621225.db2.gz MIPVBQBZSQZSMG-UHFFFAOYSA-N 0 1 358.413 3.245 20 10 FGCDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1C(=O)[O-] ZINC000828457103 601814174 /nfs/dbraw/zinc/81/41/74/601814174.db2.gz RHEWIBJGLCZQKU-QMTHXVAHSA-N 0 1 364.239 3.460 20 10 FGCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](NC(=O)[O-])C[C@@H]2C)c1 ZINC000833897400 605912653 /nfs/dbraw/zinc/91/26/53/605912653.db2.gz JYPCNBXGONBEOZ-CMPLNLGQSA-N 0 1 357.248 3.084 20 10 FGCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](NC(=O)[O-])C[C@@H]2C)c1 ZINC000833897400 605912655 /nfs/dbraw/zinc/91/26/55/605912655.db2.gz JYPCNBXGONBEOZ-CMPLNLGQSA-N 0 1 357.248 3.084 20 10 FGCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826268920 609336449 /nfs/dbraw/zinc/33/64/49/609336449.db2.gz SWJYJTRLFDDWKN-CYBMUJFWSA-N 0 1 354.433 3.231 20 10 FGCDMN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC000093734723 700453355 /nfs/dbraw/zinc/45/33/55/700453355.db2.gz SEXDMMUOJUTESL-UHFFFAOYSA-N 0 1 362.253 3.243 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1[O-] ZINC000124018479 700713740 /nfs/dbraw/zinc/71/37/40/700713740.db2.gz PAFQIUCZWAIJFO-UHFFFAOYSA-N 0 1 368.905 3.038 20 10 FGCDMN O=C(Cc1ccsc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134264168 704818358 /nfs/dbraw/zinc/81/83/58/704818358.db2.gz ANWTZKDKZVKXJS-MRXNPFEDSA-N 0 1 364.898 3.430 20 10 FGCDMN COc1ccc(O)c([C@H](C)NCc2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000182457218 705844163 /nfs/dbraw/zinc/84/41/63/705844163.db2.gz FITOFNRIPZWIGJ-JTQLQIEISA-N 0 1 359.451 3.166 20 10 FGCDMN CC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Br)ccc1[O-] ZINC000779065795 724386639 /nfs/dbraw/zinc/38/66/39/724386639.db2.gz PUBAEYRYEBZPKE-GXTWGEPZSA-N 0 1 350.260 3.407 20 10 FGCDMN CCN(CC(=O)N1CCC[C@@H](C)C1)Cc1cc(Br)ccc1O ZINC000743873026 722572259 /nfs/dbraw/zinc/57/22/59/722572259.db2.gz GOQLYLUDBMHTCM-CYBMUJFWSA-N 0 1 369.303 3.235 20 10 FGCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCCSc2nccs2)n[nH]1 ZINC000753587478 722905603 /nfs/dbraw/zinc/90/56/03/722905603.db2.gz IQVHDJFWFMKCMZ-QWRGUYRKSA-N 0 1 368.532 3.317 20 10 FGCDMN CNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000756394193 722963826 /nfs/dbraw/zinc/96/38/26/722963826.db2.gz CGRYWFQVAQBHCH-LLVKDONJSA-N 0 1 363.255 3.365 20 10 FGCDMN C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Br)ccc1[O-] ZINC000756478980 722965366 /nfs/dbraw/zinc/96/53/66/722965366.db2.gz KJXUENHJRTUJPU-NSHDSACASA-N 0 1 364.243 3.229 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1[O-] ZINC000756502696 722965767 /nfs/dbraw/zinc/96/57/67/722965767.db2.gz KSGVSSBSVCCDBM-MWLCHTKSSA-N 0 1 367.209 3.442 20 10 FGCDMN C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000756649345 722968189 /nfs/dbraw/zinc/96/81/89/722968189.db2.gz OZVNIWPWJLVMSW-SNVBAGLBSA-N 0 1 371.275 3.425 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Br)ccc1[O-] ZINC000756788554 722970114 /nfs/dbraw/zinc/97/01/14/722970114.db2.gz WGLCVBARYANDRF-DGCLKSJQSA-N 0 1 356.260 3.491 20 10 FGCDMN COc1ccc(CN(C)Cc2cc(Br)cc(C)c2O)cn1 ZINC000757912742 722981130 /nfs/dbraw/zinc/98/11/30/722981130.db2.gz DLHKFPHMOIRJFP-UHFFFAOYSA-N 0 1 351.244 3.499 20 10 FGCDMN O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1c(F)ccc(O)c1O ZINC000789959586 723088246 /nfs/dbraw/zinc/08/82/46/723088246.db2.gz SQZYGWGUDQKDHG-UHFFFAOYSA-N 0 1 352.312 3.368 20 10 FGCDMN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1F ZINC000761994716 723204670 /nfs/dbraw/zinc/20/46/70/723204670.db2.gz DOUYMMJIJYUVAF-UHFFFAOYSA-N 0 1 355.387 3.128 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000769425364 723685368 /nfs/dbraw/zinc/68/53/68/723685368.db2.gz QZBZCQITQVTXCU-INIZCTEOSA-N 0 1 362.813 3.436 20 10 FGCDMN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514800 723688491 /nfs/dbraw/zinc/68/84/91/723688491.db2.gz LPQSLFNLCKLILV-CYBMUJFWSA-N 0 1 353.850 3.118 20 10 FGCDMN COc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)ccc1O ZINC000797820030 723866328 /nfs/dbraw/zinc/86/63/28/723866328.db2.gz COUTZXMDSMBEJW-UHFFFAOYSA-N 0 1 372.786 3.072 20 10 FGCDMN COc1c([O-])c(C[NH2+]Cc2sccc2Br)ccc1[N+](=O)[O-] ZINC000775012809 723952042 /nfs/dbraw/zinc/95/20/42/723952042.db2.gz IOKHTWHWOYMSBW-UHFFFAOYSA-N 0 1 373.228 3.423 20 10 FGCDMN COc1cc(Cl)cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1O ZINC000775180020 723968850 /nfs/dbraw/zinc/96/88/50/723968850.db2.gz ISESBUMRKMWAJE-UHFFFAOYSA-N 0 1 362.773 3.129 20 10 FGCDMN CC[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775413556 723988967 /nfs/dbraw/zinc/98/89/67/723988967.db2.gz GGYJLXYMVBHABQ-HOCLYGCPSA-N 0 1 363.255 3.422 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775527553 723998546 /nfs/dbraw/zinc/99/85/46/723998546.db2.gz RAPYHCFKXSJXJT-HUUCEWRRSA-N 0 1 362.861 3.015 20 10 FGCDMN C[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCS(=O)(=O)C3)cc2Cl)C1 ZINC000800493763 724202994 /nfs/dbraw/zinc/20/29/94/724202994.db2.gz QECBKUIOYNDDAT-GDBMZVCRSA-N 0 1 370.946 3.243 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777439014 724225797 /nfs/dbraw/zinc/22/57/97/724225797.db2.gz GIJRYMSXPZKKSB-KRWDZBQOSA-N 0 1 366.230 3.387 20 10 FGCDMN COC(=O)c1cncc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806357840 725125815 /nfs/dbraw/zinc/12/58/15/725125815.db2.gz PVJGNVVMKAMIRP-UHFFFAOYSA-N 0 1 370.192 3.202 20 10 FGCDMN COC(=O)c1ccnc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806406766 725127525 /nfs/dbraw/zinc/12/75/25/725127525.db2.gz KJRWJQPDEWGZFJ-UHFFFAOYSA-N 0 1 370.192 3.202 20 10 FGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789597363 725138069 /nfs/dbraw/zinc/13/80/69/725138069.db2.gz RPUKUUWXQCYWTR-KRWDZBQOSA-N 0 1 362.832 3.418 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc2c1CNC2=O ZINC000806754671 725142353 /nfs/dbraw/zinc/14/23/53/725142353.db2.gz BWWRBVMJAOXUAK-UHFFFAOYSA-N 0 1 366.204 3.264 20 10 FGCDMN Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835388 725171307 /nfs/dbraw/zinc/17/13/07/725171307.db2.gz XDKJFPLDYDQADA-UHFFFAOYSA-N 0 1 368.176 3.179 20 10 FGCDMN CCOC(=O)N[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C ZINC000807835855 725171435 /nfs/dbraw/zinc/17/14/35/725171435.db2.gz BAKIYDOABYBVAA-GFCCVEGCSA-N 0 1 363.241 3.086 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC(=O)c2cccn21 ZINC000807839497 725171958 /nfs/dbraw/zinc/17/19/58/725171958.db2.gz GDDJRNRSEISUBC-ZDUSSCGKSA-N 0 1 353.205 3.335 20 10 FGCDMN O=C(COCCOc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838680 725171962 /nfs/dbraw/zinc/17/19/62/725171962.db2.gz OANHVWSSRXBPEE-UHFFFAOYSA-N 0 1 370.232 3.411 20 10 FGCDMN COc1cc(OC)cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808115557 725184772 /nfs/dbraw/zinc/18/47/72/725184772.db2.gz JAJYIYIRBVGSDC-UHFFFAOYSA-N 0 1 361.778 3.003 20 10 FGCDMN COc1ccc(O)c(CNCc2cn3ccc(Br)cc3n2)c1 ZINC000810144847 725292505 /nfs/dbraw/zinc/29/25/05/725292505.db2.gz JJNTVXWXEBITJJ-UHFFFAOYSA-N 0 1 362.227 3.101 20 10 FGCDMN COC(=O)c1cc(C(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000810165989 725294180 /nfs/dbraw/zinc/29/41/80/725294180.db2.gz JSETZNSSFQHJAN-UHFFFAOYSA-N 0 1 359.209 3.499 20 10 FGCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000819760273 728942888 /nfs/dbraw/zinc/94/28/88/728942888.db2.gz CDLRQJHTKPYELV-MRXNPFEDSA-N 0 1 351.487 3.291 20 10 FGCDMN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000811514438 725371714 /nfs/dbraw/zinc/37/17/14/725371714.db2.gz KQCXABKGSOYCEO-LLVKDONJSA-N 0 1 364.795 3.245 20 10 FGCDMN CC(C)OCc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1O ZINC000811703643 725377188 /nfs/dbraw/zinc/37/71/88/725377188.db2.gz YGGAIYSFNAISDO-UHFFFAOYSA-N 0 1 372.424 3.088 20 10 FGCDMN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000815633852 727087937 /nfs/dbraw/zinc/08/79/37/727087937.db2.gz XUNSBQFSBIGZGA-VXGBXAGGSA-N 0 1 357.292 3.358 20 10 FGCDMN CS(=O)(=O)Cc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816545589 727173683 /nfs/dbraw/zinc/17/36/83/727173683.db2.gz XDXFVIOVXOAKQD-UHFFFAOYSA-N 0 1 355.459 3.380 20 10 FGCDMN Cc1ccc(C(=O)N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC000816564724 727176471 /nfs/dbraw/zinc/17/64/71/727176471.db2.gz OESGWQDXBGHGOT-UHFFFAOYSA-N 0 1 362.832 3.451 20 10 FGCDMN COC1([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2[O-])CCOCC1 ZINC000817589586 727268999 /nfs/dbraw/zinc/26/89/99/727268999.db2.gz ZCFKFHIYLRYESM-VXGBXAGGSA-N 0 1 358.276 3.389 20 10 FGCDMN Cc1noc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)n1 ZINC000824593557 729349416 /nfs/dbraw/zinc/34/94/16/729349416.db2.gz PXRWYXXKZMPOBC-LBPRGKRZSA-N 0 1 352.232 3.226 20 10 FGCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)n1 ZINC000824593557 729349419 /nfs/dbraw/zinc/34/94/19/729349419.db2.gz PXRWYXXKZMPOBC-LBPRGKRZSA-N 0 1 352.232 3.226 20 10 FGCDMN FC(F)(F)c1cccc(CNCc2ccc(N3CCOCC3)cc2)n1 ZINC000824589918 729349439 /nfs/dbraw/zinc/34/94/39/729349439.db2.gz KGHXXEJEHANOEZ-UHFFFAOYSA-N 0 1 351.372 3.227 20 10 FGCDMN COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(Br)cc2[O-])cc1 ZINC000824813987 729359966 /nfs/dbraw/zinc/35/99/66/729359966.db2.gz KJDVISNJHJLZHX-INIZCTEOSA-N 0 1 366.255 3.329 20 10 FGCDMN COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(Br)cc2[O-])cc1 ZINC000824813987 729359968 /nfs/dbraw/zinc/35/99/68/729359968.db2.gz KJDVISNJHJLZHX-INIZCTEOSA-N 0 1 366.255 3.329 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000825130720 729372227 /nfs/dbraw/zinc/37/22/27/729372227.db2.gz DSFUITXBTDQFDI-ZDUSSCGKSA-N 0 1 368.246 3.235 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1Cl ZINC000825179121 729373756 /nfs/dbraw/zinc/37/37/56/729373756.db2.gz SVNMCNBYNQCTLT-UHFFFAOYSA-N 0 1 359.857 3.143 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(Br)ccc1[O-] ZINC000834849782 729838914 /nfs/dbraw/zinc/83/89/14/729838914.db2.gz FLCJBMVEFVIZBR-ZBFHGGJFSA-N 0 1 371.319 3.042 20 10 FGCDMN COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841743159 730269872 /nfs/dbraw/zinc/26/98/72/730269872.db2.gz DJKDBCUVKXFOSQ-PIGZYNQJSA-N 0 1 351.830 3.447 20 10 FGCDMN COc1cccc(C[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)[O-])c1 ZINC000841820250 730278770 /nfs/dbraw/zinc/27/87/70/730278770.db2.gz OLFHMFWPXBLOGB-GFCCVEGCSA-N 0 1 367.804 3.226 20 10 FGCDMN Cn1nccc1[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C ZINC000843432767 730620665 /nfs/dbraw/zinc/62/06/65/730620665.db2.gz PLRYBJUDOLFXTL-OAHLLOKOSA-N 0 1 369.824 3.091 20 10 FGCDMN COC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)[C@H]1CCC[C@@H](OC)C1 ZINC000846106912 730929401 /nfs/dbraw/zinc/92/94/01/730929401.db2.gz FVLGUEGOJLKZDO-LYOVBCGYSA-N 0 1 359.825 3.021 20 10 FGCDMN COc1cc(Br)cc([C@H](C)N[C@H](C)c2ccn(C)n2)c1O ZINC000848552792 731180617 /nfs/dbraw/zinc/18/06/17/731180617.db2.gz NNIXSHUOKOMXJM-VHSXEESVSA-N 0 1 354.248 3.309 20 10 FGCDMN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NCc1cccc(Cl)c1O ZINC000848928999 731222167 /nfs/dbraw/zinc/22/21/67/731222167.db2.gz REGUBWGCUULLMO-MRXNPFEDSA-N 0 1 362.857 3.483 20 10 FGCDMN Cn1nc(C(F)(F)F)cc1CNCc1ccc(N2CCSCC2)cc1 ZINC000850033792 731311635 /nfs/dbraw/zinc/31/16/35/731311635.db2.gz FDZIGIYHOQROGC-UHFFFAOYSA-N 0 1 370.444 3.282 20 10 FGCDMN COCCOc1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858100229 732180587 /nfs/dbraw/zinc/18/05/87/732180587.db2.gz OPUJCTQMJFKKEY-UHFFFAOYSA-N 0 1 366.255 3.470 20 10 FGCDMN Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000858186371 732190642 /nfs/dbraw/zinc/19/06/42/732190642.db2.gz ZSSRLAPSAPGZKV-CQSZACIVSA-N 0 1 363.255 3.021 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000858208425 732192514 /nfs/dbraw/zinc/19/25/14/732192514.db2.gz CQIZCWGKTMPMEJ-GFCCVEGCSA-N 0 1 364.165 3.244 20 10 FGCDMN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cc(Br)ccc2[O-])n1 ZINC000858591549 732229601 /nfs/dbraw/zinc/22/96/01/732229601.db2.gz GBMSSJVXXXDXNI-RGZBUGHASA-N 0 1 368.231 3.027 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000858603124 732230895 /nfs/dbraw/zinc/23/08/95/732230895.db2.gz RMSPLBXMVDCJRX-GJZGRUSLSA-N 0 1 367.287 3.349 20 10 FGCDMN O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862240738 732795676 /nfs/dbraw/zinc/79/56/76/732795676.db2.gz OIOZKNPISXRVKD-ZDUSSCGKSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCCN1[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862240738 732795681 /nfs/dbraw/zinc/79/56/81/732795681.db2.gz OIOZKNPISXRVKD-ZDUSSCGKSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCCN1[C@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC000862240738 732795688 /nfs/dbraw/zinc/79/56/88/732795688.db2.gz OIOZKNPISXRVKD-ZDUSSCGKSA-N 0 1 367.287 3.132 20 10 FGCDMN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1c(O)ccc(Cl)c1F ZINC000862473928 732839464 /nfs/dbraw/zinc/83/94/64/732839464.db2.gz CRYSPRNXNBDUIU-HNNXBMFYSA-N 0 1 367.804 3.067 20 10 FGCDMN Cc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c(F)c1 ZINC000864355748 733049119 /nfs/dbraw/zinc/04/91/19/733049119.db2.gz JGQPEVYZEBLMRY-GDNBJRDFSA-N 0 1 350.484 3.430 20 10 FGCDMN O=C(/C=C/COC1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000868359843 733586540 /nfs/dbraw/zinc/58/65/40/733586540.db2.gz ZKKXDLLOZKVLLS-OWOJBTEDSA-N 0 1 360.237 3.067 20 10 FGCDMN Cc1ccc(NCc2ccc(F)c(F)c2O)c(OCC(=O)N(C)C)c1 ZINC000876830269 736151133 /nfs/dbraw/zinc/15/11/33/736151133.db2.gz FIOSOMCKMAHKIH-UHFFFAOYSA-N 0 1 350.365 3.058 20 10 FGCDMN COc1ncc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000876946957 736166287 /nfs/dbraw/zinc/16/62/87/736166287.db2.gz YFIAHXYETYCPKN-BETUJISGSA-N 0 1 365.474 3.194 20 10 FGCDMN COc1ccc(CNCc2nc3cc(Cl)ccc3n2C)c(O)c1OC ZINC000893707763 742188649 /nfs/dbraw/zinc/18/86/49/742188649.db2.gz WHEPHJGFDHOEFF-UHFFFAOYSA-N 0 1 361.829 3.239 20 10 FGCDMN CC(=O)NC1CCC([N@@H+](C)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894445890 742284639 /nfs/dbraw/zinc/28/46/39/742284639.db2.gz QCAYMVDZIRMJAF-UHFFFAOYSA-N 0 1 373.266 3.173 20 10 FGCDMN Cn1ccc(C2CC[NH+](Cc3c([O-])cccc3Br)CC2)n1 ZINC000896495011 742558909 /nfs/dbraw/zinc/55/89/09/742558909.db2.gz KNOGMLAWDYWQLJ-UHFFFAOYSA-N 0 1 350.260 3.268 20 10 FGCDMN O=S(=O)(Nc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1)C1CC1 ZINC000898292343 742771353 /nfs/dbraw/zinc/77/13/53/742771353.db2.gz GNYPOPSGVNCXJX-UHFFFAOYSA-N 0 1 366.870 3.240 20 10 FGCDMN C[C@H]1C[C@@H](NCc2cn(C)nc2Br)c2c1c(F)ccc2O ZINC000903187926 743819655 /nfs/dbraw/zinc/81/96/55/743819655.db2.gz LCDCYKPKMTYZNB-GZMMTYOYSA-N 0 1 354.223 3.365 20 10 FGCDMN CCCCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000179329421 495544942 /nfs/dbraw/zinc/54/49/42/495544942.db2.gz IATQIRZVRWQJDN-UHFFFAOYSA-N 0 1 369.303 3.283 20 10 FGCDMN C[C@@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1nnc[nH]1 ZINC000182500417 495587266 /nfs/dbraw/zinc/58/72/66/495587266.db2.gz GDESDRVJOWDQNL-CQSZACIVSA-N 0 1 356.474 3.134 20 10 FGCDMN COC(=O)COc1ccccc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000183526818 496019480 /nfs/dbraw/zinc/01/94/80/496019480.db2.gz DGJNQRGOQTYXJJ-AWEZNQCLSA-N 0 1 360.429 3.294 20 10 FGCDMN C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000184964560 496601936 /nfs/dbraw/zinc/60/19/36/496601936.db2.gz FMWKWJOKSLRLSB-LBPRGKRZSA-N 0 1 368.886 3.147 20 10 FGCDMN CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000273361086 496783002 /nfs/dbraw/zinc/78/30/02/496783002.db2.gz AKRRKDUKLHBBLR-ZBOXLXRLSA-N 0 1 355.276 3.110 20 10 FGCDMN CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000273361083 496783138 /nfs/dbraw/zinc/78/31/38/496783138.db2.gz AKRRKDUKLHBBLR-XSRFYTQQSA-N 0 1 355.276 3.110 20 10 FGCDMN Cc1cc(C(=O)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263577723 497802444 /nfs/dbraw/zinc/80/24/44/497802444.db2.gz RTUJRXXEXLXEGA-OAQYLSRUSA-N 0 1 354.450 3.382 20 10 FGCDMN COc1cccc(CNCc2c[nH]c(=NC(=O)OC(C)(C)C)s2)c1O ZINC000289448692 498151199 /nfs/dbraw/zinc/15/11/99/498151199.db2.gz MYMORSMBUIDEIE-UHFFFAOYSA-N 0 1 365.455 3.494 20 10 FGCDMN C[C@H]([NH2+]Cc1ncccc1N(C)C)c1cc(Br)ccc1[O-] ZINC000289570199 498198870 /nfs/dbraw/zinc/19/88/70/498198870.db2.gz AXBHAJRNWDESHQ-NSHDSACASA-N 0 1 350.260 3.467 20 10 FGCDMN CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1O ZINC000286230312 498332173 /nfs/dbraw/zinc/33/21/73/498332173.db2.gz STXSGDXCRZXKIR-QUCCMNQESA-N 0 1 358.457 3.339 20 10 FGCDMN CCc1nc(CN2CCC[C@H]([NH2+]Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000361695096 498419776 /nfs/dbraw/zinc/41/97/76/498419776.db2.gz CJAKNUDEJWENEW-INIZCTEOSA-N 0 1 366.465 3.245 20 10 FGCDMN CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000297407626 498438445 /nfs/dbraw/zinc/43/84/45/498438445.db2.gz SZDPRWHMVACEBW-GXTWGEPZSA-N 0 1 354.237 3.361 20 10 FGCDMN CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287798886 498866986 /nfs/dbraw/zinc/86/69/86/498866986.db2.gz TZSIMEDTXNRADO-MLGOLLRUSA-N 0 1 360.329 3.376 20 10 FGCDMN COCCn1c(C)c(C)c2cc(C(=O)NCc3n[nH]c(C(C)C)n3)ccc21 ZINC000295769052 499097836 /nfs/dbraw/zinc/09/78/36/499097836.db2.gz PNPJMYXTWSZXSD-UHFFFAOYSA-N 0 1 369.469 3.076 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(Br)ccc1[O-] ZINC000367066358 499142850 /nfs/dbraw/zinc/14/28/50/499142850.db2.gz JBXOTKNBYDFKNV-GRDNDAEWSA-N 0 1 367.287 3.253 20 10 FGCDMN Cc1nc(CN(C)[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000370225756 499199286 /nfs/dbraw/zinc/19/92/86/499199286.db2.gz XVLVDOBHWJCOSM-INIZCTEOSA-N 0 1 364.877 3.224 20 10 FGCDMN Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000370225756 499199287 /nfs/dbraw/zinc/19/92/87/499199287.db2.gz XVLVDOBHWJCOSM-INIZCTEOSA-N 0 1 364.877 3.224 20 10 FGCDMN CCn1cnnc1[C@@H]1CN([C@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752584 499551728 /nfs/dbraw/zinc/55/17/28/499551728.db2.gz BOSWSCVDHPFPTK-KUHUBIRLSA-N 0 1 356.470 3.017 20 10 FGCDMN CO[C@H](CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(C)C ZINC000435821087 501033854 /nfs/dbraw/zinc/03/38/54/501033854.db2.gz ZWYAOKOPOIZQKC-OAQYLSRUSA-N 0 1 371.525 3.195 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@H](C)O2)C1 ZINC000457361582 501687404 /nfs/dbraw/zinc/68/74/04/501687404.db2.gz KRNHMIWTBXXEEN-IRXDYDNUSA-N 0 1 369.509 3.092 20 10 FGCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)[C@@H](C)[C@@H]3C)ccc21 ZINC000538921037 504416814 /nfs/dbraw/zinc/41/68/14/504416814.db2.gz DKYNPTVDUDOYJZ-IRXDYDNUSA-N 0 1 357.498 3.069 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccon2)C1 ZINC000583558238 506847380 /nfs/dbraw/zinc/84/73/80/506847380.db2.gz HQMIUCHSPYHVGK-UHFFFAOYSA-N 0 1 366.465 3.054 20 10 FGCDMN CCN(CC)c1ccc(CNCc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000736533337 598315818 /nfs/dbraw/zinc/31/58/18/598315818.db2.gz ZKQQFSKFBFLROY-UHFFFAOYSA-N 0 1 354.433 3.142 20 10 FGCDMN COc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3C(=O)[O-])CC2)cc1 ZINC000738020459 600087353 /nfs/dbraw/zinc/08/73/53/600087353.db2.gz FEEMOSPIGSUJGO-UHFFFAOYSA-N 0 1 358.413 3.245 20 10 FGCDMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000739658280 600702981 /nfs/dbraw/zinc/70/29/81/600702981.db2.gz OFQJCPCDTPQJJU-LBPRGKRZSA-N 0 1 361.463 3.409 20 10 FGCDMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000093864102 700455308 /nfs/dbraw/zinc/45/53/08/700455308.db2.gz XWWJXSQJCCSZFI-AWEZNQCLSA-N 0 1 350.260 3.398 20 10 FGCDMN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000105448234 700501042 /nfs/dbraw/zinc/50/10/42/700501042.db2.gz ZUOUUGGPQOGQPM-UHFFFAOYSA-N 0 1 351.200 3.395 20 10 FGCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(Cl)o3)cc2F)CC1 ZINC000106702662 700509790 /nfs/dbraw/zinc/50/97/90/700509790.db2.gz MEHWCAZBJXWXJX-UHFFFAOYSA-N 0 1 365.836 3.144 20 10 FGCDMN CCCN(CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccccc1O ZINC000137009979 704866573 /nfs/dbraw/zinc/86/65/73/704866573.db2.gz ZIXGVRHBGJOMIM-UHFFFAOYSA-N 0 1 362.499 3.392 20 10 FGCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccsc3)cc2F)CC1 ZINC000157502548 705155452 /nfs/dbraw/zinc/15/54/52/705155452.db2.gz ITBIKABJIVXPRY-UHFFFAOYSA-N 0 1 362.474 3.351 20 10 FGCDMN COc1cc(CN(C)Cc2cc(Br)cn2C)c(O)cc1C ZINC000160402592 705252208 /nfs/dbraw/zinc/25/22/08/705252208.db2.gz LOJISMJENSVGJR-UHFFFAOYSA-N 0 1 353.260 3.442 20 10 FGCDMN C[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])NC(=O)OC(C)(C)C ZINC000194946129 713540538 /nfs/dbraw/zinc/54/05/38/713540538.db2.gz BWSGWCFQJXQBTD-SNVBAGLBSA-N 0 1 359.264 3.158 20 10 FGCDMN C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(Br)cc1[O-] ZINC000756638852 722968044 /nfs/dbraw/zinc/96/80/44/722968044.db2.gz SQUBRGRMKVTJNZ-IAQYHMDHSA-N 0 1 359.333 3.243 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000768252236 723652011 /nfs/dbraw/zinc/65/20/11/723652011.db2.gz ZANGHYGXZJMZHM-OAHLLOKOSA-N 0 1 359.297 3.386 20 10 FGCDMN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706855692 722412234 /nfs/dbraw/zinc/41/22/34/722412234.db2.gz LUVDDVDCSCHTGT-LLVKDONJSA-N 0 1 371.275 3.254 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000708091385 722412598 /nfs/dbraw/zinc/41/25/98/722412598.db2.gz UBSIJPJLRZXUIX-JTQLQIEISA-N 0 1 359.695 3.382 20 10 FGCDMN CO[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733329119 722495722 /nfs/dbraw/zinc/49/57/22/722495722.db2.gz NBZAZOSYBOAHOO-OAHLLOKOSA-N 0 1 361.364 3.252 20 10 FGCDMN COc1cc(C)nc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000735487044 722516648 /nfs/dbraw/zinc/51/66/48/722516648.db2.gz ANKIZVOCLQQTFS-HNNXBMFYSA-N 0 1 362.861 3.229 20 10 FGCDMN COc1cc(C)nc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000735487044 722516649 /nfs/dbraw/zinc/51/66/49/722516649.db2.gz ANKIZVOCLQQTFS-HNNXBMFYSA-N 0 1 362.861 3.229 20 10 FGCDMN O=C1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000742392594 722556736 /nfs/dbraw/zinc/55/67/36/722556736.db2.gz RMSDHMJONXMSBQ-MPGHIAIKSA-N 0 1 356.853 3.292 20 10 FGCDMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756323545 722962824 /nfs/dbraw/zinc/96/28/24/722962824.db2.gz QXCOREJOSZDUOU-OAHLLOKOSA-N 0 1 362.788 3.452 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756398481 722963966 /nfs/dbraw/zinc/96/39/66/722963966.db2.gz IOBBOZOZJKJSBK-LBPRGKRZSA-N 0 1 360.329 3.376 20 10 FGCDMN CN(C)[C@H](CNC(=O)NCCCSc1nccs1)c1ccsc1 ZINC000759561215 723008934 /nfs/dbraw/zinc/00/89/34/723008934.db2.gz PRZJZEDRHWWDEN-CYBMUJFWSA-N 0 1 370.569 3.289 20 10 FGCDMN O=C(Nc1ccc(I)cc1)c1c(F)ccc(O)c1O ZINC000789939736 723086880 /nfs/dbraw/zinc/08/68/80/723086880.db2.gz RAHFQRBFTZOTLV-UHFFFAOYSA-N 0 1 373.121 3.094 20 10 FGCDMN CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000793700530 723461812 /nfs/dbraw/zinc/46/18/12/723461812.db2.gz SJPJUQDUCAPLIY-ZDUSSCGKSA-N 0 1 359.447 3.158 20 10 FGCDMN CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000793700530 723461815 /nfs/dbraw/zinc/46/18/15/723461815.db2.gz SJPJUQDUCAPLIY-ZDUSSCGKSA-N 0 1 359.447 3.158 20 10 FGCDMN CS(=O)(=O)C[C@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000793700530 723461818 /nfs/dbraw/zinc/46/18/18/723461818.db2.gz SJPJUQDUCAPLIY-ZDUSSCGKSA-N 0 1 359.447 3.158 20 10 FGCDMN C[NH+](C)CC1(C(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000765944862 723548021 /nfs/dbraw/zinc/54/80/21/723548021.db2.gz SVYCRRWSLQMADF-UHFFFAOYSA-N 0 1 369.303 3.283 20 10 FGCDMN O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769340650 723682897 /nfs/dbraw/zinc/68/28/97/723682897.db2.gz CNGRUFVNOGFARM-CQSZACIVSA-N 0 1 367.287 3.132 20 10 FGCDMN COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000798002042 723897400 /nfs/dbraw/zinc/89/74/00/723897400.db2.gz VXKLJQAMXPLMKJ-CYBMUJFWSA-N 0 1 362.857 3.064 20 10 FGCDMN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775292227 723977724 /nfs/dbraw/zinc/97/77/24/723977724.db2.gz WSHWJYVATLJGFX-UHFFFAOYSA-N 0 1 363.435 3.213 20 10 FGCDMN CC[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775413557 723989045 /nfs/dbraw/zinc/98/90/45/723989045.db2.gz GGYJLXYMVBHABQ-ZBFHGGJFSA-N 0 1 363.255 3.422 20 10 FGCDMN CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cc(Cl)ccc1[O-] ZINC000775492240 723995619 /nfs/dbraw/zinc/99/56/19/723995619.db2.gz NUPDNTUFBWXPQG-INIZCTEOSA-N 0 1 368.886 3.195 20 10 FGCDMN CC[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cc(Br)ccc1[O-] ZINC000775498046 723996284 /nfs/dbraw/zinc/99/62/84/723996284.db2.gz GIRFKXGCOPOCSR-OAHLLOKOSA-N 0 1 371.319 3.306 20 10 FGCDMN CC[C@H]([NH2+]CCN1CCC(OC)CC1)c1cc(Br)ccc1[O-] ZINC000775512418 723997272 /nfs/dbraw/zinc/99/72/72/723997272.db2.gz OTYCACXMBUSWEN-INIZCTEOSA-N 0 1 371.319 3.306 20 10 FGCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000775742354 724036342 /nfs/dbraw/zinc/03/63/42/724036342.db2.gz UREIIPVJAUIDOE-DOMZBBRYSA-N 0 1 370.877 3.160 20 10 FGCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000775743481 724037205 /nfs/dbraw/zinc/03/72/05/724037205.db2.gz ZUJFTHNACRMKRU-ZFWWWQNUSA-N 0 1 355.793 3.102 20 10 FGCDMN C[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1ccc(N(C)C)cc1 ZINC000775834668 724069212 /nfs/dbraw/zinc/06/92/12/724069212.db2.gz CATVNZZTCRJBBY-CYBMUJFWSA-N 0 1 358.511 3.377 20 10 FGCDMN C[C@@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000800505674 724205078 /nfs/dbraw/zinc/20/50/78/724205078.db2.gz XCTFWTHWCDOPMU-QGZVFWFLSA-N 0 1 360.523 3.061 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000805227796 725057369 /nfs/dbraw/zinc/05/73/69/725057369.db2.gz FZABYBXFRWHJJA-GLQYFDAESA-N 0 1 371.264 3.456 20 10 FGCDMN CC(C)CCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1 ZINC000807838858 725172065 /nfs/dbraw/zinc/17/20/65/725172065.db2.gz SMTKPHIGUDPBSL-UHFFFAOYSA-N 0 1 357.241 3.267 20 10 FGCDMN O=c1ccc2cc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)ccc2o1 ZINC000808114785 725184417 /nfs/dbraw/zinc/18/44/17/725184417.db2.gz HISKSODCBKSKGH-UHFFFAOYSA-N 0 1 369.757 3.092 20 10 FGCDMN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809691980 725259250 /nfs/dbraw/zinc/25/92/50/725259250.db2.gz VJXBTFHBUSEZIA-CYBMUJFWSA-N 0 1 371.821 3.054 20 10 FGCDMN COc1cc2c(cc1C[NH2+]Cc1cc(Br)ccc1[O-])OCO2 ZINC000809713474 725261648 /nfs/dbraw/zinc/26/16/48/725261648.db2.gz RIIIDZYRFAKGRP-UHFFFAOYSA-N 0 1 366.211 3.182 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000810165569 725294050 /nfs/dbraw/zinc/29/40/50/725294050.db2.gz WMTUCHXHZZJSJK-SJLPKXTDSA-N 0 1 362.267 3.411 20 10 FGCDMN CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221212 725297835 /nfs/dbraw/zinc/29/78/35/725297835.db2.gz CALRQVWZBTWNFN-ZDUSSCGKSA-N 0 1 353.344 3.146 20 10 FGCDMN CC[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228409 725298270 /nfs/dbraw/zinc/29/82/70/725298270.db2.gz UBHMLZWKGVCGDC-CQSZACIVSA-N 0 1 365.417 3.277 20 10 FGCDMN CC[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241372 725299097 /nfs/dbraw/zinc/29/90/97/725299097.db2.gz SDWZHKNZWGJSIG-GXFFZTMASA-N 0 1 365.417 3.417 20 10 FGCDMN O=C(CNc1ccccc1[N+](=O)[O-])NCc1cc(Cl)cc(Cl)c1O ZINC000813685565 726905243 /nfs/dbraw/zinc/90/52/43/726905243.db2.gz LBFJYOLDDCCTCL-UHFFFAOYSA-N 0 1 370.192 3.336 20 10 FGCDMN Oc1c(Br)cccc1CNCc1ncn(-c2ccccc2)n1 ZINC000815162596 727047093 /nfs/dbraw/zinc/04/70/93/727047093.db2.gz LGQWRLVGHLCZNP-UHFFFAOYSA-N 0 1 359.227 3.025 20 10 FGCDMN O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000816513909 727170047 /nfs/dbraw/zinc/17/00/47/727170047.db2.gz GMIDTTOIXDYSSD-NSHDSACASA-N 0 1 366.780 3.174 20 10 FGCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816608378 727180040 /nfs/dbraw/zinc/18/00/40/727180040.db2.gz XUFSKYJDEGUCFQ-QGZVFWFLSA-N 0 1 353.340 3.473 20 10 FGCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816608378 727180045 /nfs/dbraw/zinc/18/00/45/727180045.db2.gz XUFSKYJDEGUCFQ-QGZVFWFLSA-N 0 1 353.340 3.473 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(Br)cc1[O-] ZINC000817585267 727268339 /nfs/dbraw/zinc/26/83/39/727268339.db2.gz DUXFAQUWKPZTSO-SRVKXCTJSA-N 0 1 355.276 3.097 20 10 FGCDMN CCN(CC)c1ccc(CNCc2cccc(S(C)(=O)=O)c2)cc1F ZINC000823842646 729308558 /nfs/dbraw/zinc/30/85/58/729308558.db2.gz PEDXQCITIVETJO-UHFFFAOYSA-N 0 1 364.486 3.365 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824584053 729349064 /nfs/dbraw/zinc/34/90/64/729349064.db2.gz VWQRHOKSZGLMCC-GOEBONIOSA-N 0 1 360.420 3.299 20 10 FGCDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C(N)=O ZINC000824608323 729350400 /nfs/dbraw/zinc/35/04/00/729350400.db2.gz FSYGWZQAPFNIDV-NSHDSACASA-N 0 1 369.849 3.067 20 10 FGCDMN COc1ccc(OC)c(CN(CCO)Cc2cc(Cl)c(C)cc2O)c1 ZINC000824797366 729359307 /nfs/dbraw/zinc/35/93/07/729359307.db2.gz RXJYUWPLSIDXND-UHFFFAOYSA-N 0 1 365.857 3.366 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@H+](CCO)CCc1ccccc1 ZINC000824809835 729359782 /nfs/dbraw/zinc/35/97/82/729359782.db2.gz ZVOSEDWFQAFNJG-UHFFFAOYSA-N 0 1 350.256 3.192 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@@H+](CCO)CCc1ccccc1 ZINC000824809835 729359784 /nfs/dbraw/zinc/35/97/84/729359784.db2.gz ZVOSEDWFQAFNJG-UHFFFAOYSA-N 0 1 350.256 3.192 20 10 FGCDMN CCn1ccnc1[C@H](C)NCc1cc(Br)cc(OC)c1O ZINC000825006177 729367542 /nfs/dbraw/zinc/36/75/42/729367542.db2.gz ZEOSSWDINGGDCQ-JTQLQIEISA-N 0 1 354.248 3.231 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000825124943 729372049 /nfs/dbraw/zinc/37/20/49/729372049.db2.gz BAZIMSYHYHAFGH-SNVBAGLBSA-N 0 1 367.209 3.129 20 10 FGCDMN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825320078 729378618 /nfs/dbraw/zinc/37/86/18/729378618.db2.gz FMAXCQMQGLQTGL-SNVBAGLBSA-N 0 1 352.276 3.226 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000825391334 729381536 /nfs/dbraw/zinc/38/15/36/729381536.db2.gz SYZVUFGFZLWICA-MRXNPFEDSA-N 0 1 358.869 3.492 20 10 FGCDMN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(Br)cc1[O-])C2 ZINC000825563500 729387874 /nfs/dbraw/zinc/38/78/74/729387874.db2.gz YLIGNQCOVPFPOR-SFHVURJKSA-N 0 1 373.250 3.251 20 10 FGCDMN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(Br)cc1[O-])C2 ZINC000825563500 729387876 /nfs/dbraw/zinc/38/78/76/729387876.db2.gz YLIGNQCOVPFPOR-SFHVURJKSA-N 0 1 373.250 3.251 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(Br)ccc1[O-] ZINC000834849638 729839092 /nfs/dbraw/zinc/83/90/92/729839092.db2.gz DMEXVTKSLZQGCM-GOEBONIOSA-N 0 1 371.319 3.042 20 10 FGCDMN CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C(C)C ZINC000834880065 729841631 /nfs/dbraw/zinc/84/16/31/729841631.db2.gz HKPSMHLXLUPHTL-NHYWBVRUSA-N 0 1 357.292 3.308 20 10 FGCDMN C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)c2nccn21 ZINC000836626396 729963125 /nfs/dbraw/zinc/96/31/25/729963125.db2.gz BQRHUQDSKJFNAP-UFBFGSQYSA-N 0 1 355.225 3.401 20 10 FGCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cncc(F)c1 ZINC000840761303 730170606 /nfs/dbraw/zinc/17/06/06/730170606.db2.gz VQXAPSIJLFSKGP-GFCCVEGCSA-N 0 1 351.372 3.186 20 10 FGCDMN COc1cc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)ccc1OCCO ZINC000840881558 730187460 /nfs/dbraw/zinc/18/74/60/730187460.db2.gz ONVSLWGKUANHKV-UHFFFAOYSA-N 0 1 351.830 3.024 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)cc1[O-] ZINC000841743846 730269925 /nfs/dbraw/zinc/26/99/25/730269925.db2.gz CKUOORGDBPKOGQ-GFCCVEGCSA-N 0 1 353.871 3.441 20 10 FGCDMN C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(Br)cc1[O-] ZINC000841760284 730271626 /nfs/dbraw/zinc/27/16/26/730271626.db2.gz DOJPOGXXZGJAIC-LBPRGKRZSA-N 0 1 372.303 3.373 20 10 FGCDMN CC(=O)c1cc(Cl)cc(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1[O-] ZINC000842477911 730507025 /nfs/dbraw/zinc/50/70/25/730507025.db2.gz CEIGCMMPWOFTCA-ZWKOTPCHSA-N 0 1 362.832 3.314 20 10 FGCDMN COc1ccc(F)cc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000842793950 730544192 /nfs/dbraw/zinc/54/41/92/730544192.db2.gz OCKSVFJURRPJCC-UHFFFAOYSA-N 0 1 350.415 3.235 20 10 FGCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000846054487 730924037 /nfs/dbraw/zinc/92/40/37/730924037.db2.gz CFUWZYYRTLFLBT-LBPRGKRZSA-N 0 1 353.871 3.342 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1[O-] ZINC000846206257 730936487 /nfs/dbraw/zinc/93/64/87/730936487.db2.gz OQHVZEDCHPSEMC-NHYWBVRUSA-N 0 1 367.287 3.206 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1[O-] ZINC000848573671 731184488 /nfs/dbraw/zinc/18/44/88/731184488.db2.gz IPPDHTKZOFPCJI-JSGCOSHPSA-N 0 1 358.360 3.435 20 10 FGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(Cl)c1 ZINC000850396652 731351738 /nfs/dbraw/zinc/35/17/38/731351738.db2.gz ZUCIZLAGFFPQOX-QZTJIDSGSA-N 0 1 350.890 3.087 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000858087188 732178888 /nfs/dbraw/zinc/17/88/88/732178888.db2.gz MKXDGKZYXHJXCD-UHFFFAOYSA-N 0 1 350.212 3.216 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000858184810 732190207 /nfs/dbraw/zinc/19/02/07/732190207.db2.gz PCEIDLZIICVQBB-SFHVURJKSA-N 0 1 362.267 3.121 20 10 FGCDMN CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000859812693 732397821 /nfs/dbraw/zinc/39/78/21/732397821.db2.gz VYHYACGPLQAUDK-GUYCJALGSA-N 0 1 356.388 3.458 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000862348909 732812467 /nfs/dbraw/zinc/81/24/67/732812467.db2.gz YMNNOJIUOHFBOW-RNCFNFMXSA-N 0 1 368.193 3.290 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000862348909 732812471 /nfs/dbraw/zinc/81/24/71/732812471.db2.gz YMNNOJIUOHFBOW-RNCFNFMXSA-N 0 1 368.193 3.290 20 10 FGCDMN Oc1cccc(Br)c1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000862348909 732812477 /nfs/dbraw/zinc/81/24/77/732812477.db2.gz YMNNOJIUOHFBOW-RNCFNFMXSA-N 0 1 368.193 3.290 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1[O-] ZINC000866531278 733361165 /nfs/dbraw/zinc/36/11/65/733361165.db2.gz FHXZACVQPSMMHS-GXTWGEPZSA-N 0 1 370.287 3.391 20 10 FGCDMN CCO[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000868357815 733586177 /nfs/dbraw/zinc/58/61/77/733586177.db2.gz HIGUUZUKKMSZIW-OAHLLOKOSA-N 0 1 362.253 3.147 20 10 FGCDMN CCN(CC)c1ccc(C[NH2+]Cc2nc(CC(=O)[O-])cs2)cc1F ZINC000871881129 735560217 /nfs/dbraw/zinc/56/02/17/735560217.db2.gz JOKVNAQZVBHWLX-UHFFFAOYSA-N 0 1 351.447 3.045 20 10 FGCDMN CSCc1n[nH]c(CNCc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000886326116 739244625 /nfs/dbraw/zinc/24/46/25/739244625.db2.gz BCJCUFHJSPWZKP-UHFFFAOYSA-N 0 1 359.421 3.042 20 10 FGCDMN CSCc1nnc(CNCc2ccc(N(C)C)cc2C(F)(F)F)[nH]1 ZINC000886326116 739244628 /nfs/dbraw/zinc/24/46/28/739244628.db2.gz BCJCUFHJSPWZKP-UHFFFAOYSA-N 0 1 359.421 3.042 20 10 FGCDMN CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881853488 737390228 /nfs/dbraw/zinc/39/02/28/737390228.db2.gz YBAFGAKLHGZDMN-OAHLLOKOSA-N 0 1 357.420 3.033 20 10 FGCDMN Oc1c(F)cc(Br)cc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000894422168 742280669 /nfs/dbraw/zinc/28/06/69/742280669.db2.gz IAGSMDJOMPWYFT-UHFFFAOYSA-N 0 1 372.156 3.183 20 10 FGCDMN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000894422168 742280675 /nfs/dbraw/zinc/28/06/75/742280675.db2.gz IAGSMDJOMPWYFT-UHFFFAOYSA-N 0 1 372.156 3.183 20 10 FGCDMN COCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894530796 742295745 /nfs/dbraw/zinc/29/57/45/742295745.db2.gz MTNZHXJRLYYCNJ-GFCCVEGCSA-N 0 1 364.667 3.045 20 10 FGCDMN COc1ccc(CNCc2cc(F)ccc2OC(F)F)c(O)c1OC ZINC000895454974 742414190 /nfs/dbraw/zinc/41/41/90/742414190.db2.gz ODBUPBDBHXPXAT-UHFFFAOYSA-N 0 1 357.328 3.440 20 10 FGCDMN Cn1ccc(C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000896494199 742558553 /nfs/dbraw/zinc/55/85/53/742558553.db2.gz CIZUBTGDKCOOBC-UHFFFAOYSA-N 0 1 350.260 3.268 20 10 FGCDMN Cc1nc(CC2CC[NH+](Cc3c([O-])cccc3Br)CC2)no1 ZINC000896549203 742564093 /nfs/dbraw/zinc/56/40/93/742564093.db2.gz GEFHSAODSJSMLY-UHFFFAOYSA-N 0 1 366.259 3.301 20 10 FGCDMN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000897579237 742691548 /nfs/dbraw/zinc/69/15/48/742691548.db2.gz RLLKMIMYHPJTRF-LBPRGKRZSA-N 0 1 366.259 3.301 20 10 FGCDMN Cc1cc([O-])c(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c(Cl)c1 ZINC000898398532 742789170 /nfs/dbraw/zinc/78/91/70/742789170.db2.gz JSEGENIMLHRUJY-DEOSSOPVSA-N 0 1 373.950 3.140 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@]12C[C@H]1COC21CCC1 ZINC000898680055 742819947 /nfs/dbraw/zinc/81/99/47/742819947.db2.gz GOWYCJXKLNOECL-MEDUHNTESA-N 0 1 371.264 3.457 20 10 FGCDMN CC[C@@H]([NH2+]Cc1cn(C)nc1OC)c1cc(Br)ccc1[O-] ZINC000903338008 743838863 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494883143 /nfs/dbraw/zinc/88/31/43/494883143.db2.gz MSCSAYWWTIATGW-UHFFFAOYSA-N 0 1 360.479 3.201 20 10 FGCDMN COc1ccc(N2CCCN(C(=O)c3c(C)n[nH]c3C(C)C)CC2)cc1 ZINC000137263260 495433702 /nfs/dbraw/zinc/43/37/02/495433702.db2.gz SKWNBJKNFOWDLK-UHFFFAOYSA-N 0 1 356.470 3.203 20 10 FGCDMN C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cc(F)ccc1O ZINC000186350182 495959059 /nfs/dbraw/zinc/95/90/59/495959059.db2.gz XMMXGZADYWDEDS-FZKQIMNGSA-N 0 1 357.429 3.154 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(Br)ccc1[O-] ZINC000155586644 496004301 /nfs/dbraw/zinc/00/43/01/496004301.db2.gz JPAYDVJSCLCOQI-OCCSQVGLSA-N 0 1 365.275 3.110 20 10 FGCDMN COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000178411715 496446741 /nfs/dbraw/zinc/44/67/41/496446741.db2.gz BCZALSZDVGKPKQ-CQSZACIVSA-N 0 1 360.429 3.227 20 10 FGCDMN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000178411702 496447020 /nfs/dbraw/zinc/44/70/20/496447020.db2.gz BCZALSZDVGKPKQ-AWEZNQCLSA-N 0 1 360.429 3.227 20 10 FGCDMN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185122684 496669420 /nfs/dbraw/zinc/66/94/20/496669420.db2.gz ZYCUXAFZOWEQEN-NWDGAFQWSA-N 0 1 368.886 3.366 20 10 FGCDMN C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000185279162 496723167 /nfs/dbraw/zinc/72/31/67/496723167.db2.gz AXUCSXNTEUWWDS-LBPRGKRZSA-N 0 1 365.836 3.267 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(Br)cc1[O-] ZINC000273402650 496795684 /nfs/dbraw/zinc/79/56/84/496795684.db2.gz NQBCGQQYQOYHSO-LLVKDONJSA-N 0 1 350.260 3.467 20 10 FGCDMN CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000277514016 496799333 /nfs/dbraw/zinc/79/93/33/496799333.db2.gz WSHBVLVQDRPRJR-IUCAKERBSA-N 0 1 353.810 3.436 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000226036736 497080488 /nfs/dbraw/zinc/08/04/88/497080488.db2.gz AUBDARJGLJHNDZ-JTQLQIEISA-N 0 1 367.209 3.129 20 10 FGCDMN Cn1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(C(F)F)n1 ZINC000274524858 497118025 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CC(=O)N(Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1)C1CC1 ZINC000295761506 499096452 /nfs/dbraw/zinc/09/64/52/499096452.db2.gz HTYYGBVIISXQFO-UHFFFAOYSA-N 0 1 358.369 3.000 20 10 FGCDMN COc1cc(O)c(C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1OC ZINC000371480196 499332393 /nfs/dbraw/zinc/33/23/93/499332393.db2.gz MTSPIXYGBDTWHF-UHFFFAOYSA-N 0 1 371.433 3.210 20 10 FGCDMN CC[C@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccccc1O ZINC000372337633 499422107 /nfs/dbraw/zinc/42/21/07/499422107.db2.gz NRWBSHCOGSVUHI-AAEUAGOBSA-N 0 1 354.376 3.349 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnc2c(c1)COCC2 ZINC000376586381 499620927 /nfs/dbraw/zinc/62/09/27/499620927.db2.gz FTZLVVAXKOKVRP-UHFFFAOYSA-N 0 1 368.220 3.488 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CS[C@@H](C)C2)C1 ZINC000412614894 499869047 /nfs/dbraw/zinc/86/90/47/499869047.db2.gz QVQVXQLFZXFYAT-JKSUJKDBSA-N 0 1 371.550 3.418 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C)[C@@H]2C)C1 ZINC000435911266 501045268 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FGCDMN CCC[N@H+](Cc1ccccc1O)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000737020029 600098767 /nfs/dbraw/zinc/09/87/67/600098767.db2.gz DNTXAEILTBNFJJ-UHFFFAOYSA-N 0 1 367.405 3.151 20 10 FGCDMN O=C([O-])c1cccc(NC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000739275469 600148387 /nfs/dbraw/zinc/14/83/87/600148387.db2.gz WZAQCXNRGJDWOY-UHFFFAOYSA-N 0 1 368.433 3.474 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646606 700453045 /nfs/dbraw/zinc/45/30/45/700453045.db2.gz HVYQCXOOSUUVAN-PMACEKPBSA-N 0 1 364.555 3.465 20 10 FGCDMN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cc(F)ccc1Cl ZINC000103058991 700481004 /nfs/dbraw/zinc/48/10/04/700481004.db2.gz QBXKRNKVWQIZRL-UHFFFAOYSA-N 0 1 370.833 3.117 20 10 FGCDMN O=C(Nc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1)[C@H]1CCCO1 ZINC000113327878 700571015 /nfs/dbraw/zinc/57/10/15/700571015.db2.gz VHXYRIPQPPFNNM-GOSISDBHSA-N 0 1 360.841 3.453 20 10 FGCDMN CN(C)c1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1F ZINC000154861115 705052367 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C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000179315407 705697085 /nfs/dbraw/zinc/69/70/85/705697085.db2.gz NPTFTVXSPCBPJS-UHFFFAOYSA-N 0 1 351.746 3.494 20 10 FGCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000179315407 705697089 /nfs/dbraw/zinc/69/70/89/705697089.db2.gz NPTFTVXSPCBPJS-UHFFFAOYSA-N 0 1 351.746 3.494 20 10 FGCDMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1O ZINC000189287845 712790968 /nfs/dbraw/zinc/79/09/68/712790968.db2.gz XWALWDHJAFAWGG-OAHLLOKOSA-N 0 1 360.479 3.125 20 10 FGCDMN CC(C)(C)OC(=O)NCC(F)(F)CNCc1cc(Cl)cc(F)c1O ZINC000779194699 724399371 /nfs/dbraw/zinc/39/93/71/724399371.db2.gz XMHWFSBFLLPTIV-UHFFFAOYSA-N 0 1 368.783 3.434 20 10 FGCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000779459744 724415226 /nfs/dbraw/zinc/41/52/26/724415226.db2.gz FZFSAEKGRWTMQG-UHFFFAOYSA-N 0 1 357.387 3.133 20 10 FGCDMN C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(Br)cc1[O-] ZINC000756638853 722968080 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3.168 20 10 FGCDMN Oc1cc2c(cc1CN1CCN(Cc3ccc(Cl)nc3)CC1)CCC2 ZINC000734829974 722510333 /nfs/dbraw/zinc/51/03/33/722510333.db2.gz WZZFWWTYWUTKTH-UHFFFAOYSA-N 0 1 357.885 3.247 20 10 FGCDMN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000735487730 722516782 /nfs/dbraw/zinc/51/67/82/722516782.db2.gz XIGIXPXHGGXQLO-OAHLLOKOSA-N 0 1 362.817 3.425 20 10 FGCDMN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000735487730 722516783 /nfs/dbraw/zinc/51/67/83/722516783.db2.gz XIGIXPXHGGXQLO-OAHLLOKOSA-N 0 1 362.817 3.425 20 10 FGCDMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000746778124 722617789 /nfs/dbraw/zinc/61/77/89/722617789.db2.gz SZHPERLZWZARHR-KRWDZBQOSA-N 0 1 361.873 3.490 20 10 FGCDMN C[S@](=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000751152087 722796400 /nfs/dbraw/zinc/79/64/00/722796400.db2.gz KUCDYHOZBDMTNN-FQEVSTJZSA-N 0 1 354.269 3.182 20 10 FGCDMN C[C@H]([NH2+]CCOc1ncccc1F)c1ccc(Br)cc1[O-] ZINC000756758156 722969644 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CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643445 724014319 /nfs/dbraw/zinc/01/43/19/724014319.db2.gz XVSWZWCFBFDWPC-UHFFFAOYSA-N 0 1 368.811 3.462 20 10 FGCDMN CSc1ccccc1[C@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000799341227 724015029 /nfs/dbraw/zinc/01/50/29/724015029.db2.gz XVAPIJAUGHTUGY-HNNXBMFYSA-N 0 1 357.523 3.442 20 10 FGCDMN C[C@@H]1CCCN(c2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2Cl)C1 ZINC000800493768 724202867 /nfs/dbraw/zinc/20/28/67/724202867.db2.gz QECBKUIOYNDDAT-ZBFHGGJFSA-N 0 1 370.946 3.243 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN1C1CC1 ZINC000787424101 725027949 /nfs/dbraw/zinc/02/79/49/725027949.db2.gz HQFFKDIAZXIFNK-HNNXBMFYSA-N 0 1 367.287 3.130 20 10 FGCDMN CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000788618848 725076543 /nfs/dbraw/zinc/07/65/43/725076543.db2.gz KRGREAKFVQCICG-LZWOXQAQSA-N 0 1 358.276 3.389 20 10 FGCDMN CN(C)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000806206172 725120457 /nfs/dbraw/zinc/12/04/57/725120457.db2.gz HRSSXDPWKYQLKC-UHFFFAOYSA-N 0 1 355.225 3.482 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Cl)cn1 ZINC000807512854 725162333 /nfs/dbraw/zinc/16/23/33/725162333.db2.gz MFJLESLFPWQUPJ-UHFFFAOYSA-N 0 1 374.611 3.002 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1F ZINC000807513400 725162361 /nfs/dbraw/zinc/16/23/61/725162361.db2.gz NDBUNXLUGNKHRU-UHFFFAOYSA-N 0 1 357.168 3.093 20 10 FGCDMN O=C(CNC(=O)C1CCCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837345 725171649 /nfs/dbraw/zinc/17/16/49/725171649.db2.gz MKXKMQKTGXZJEW-UHFFFAOYSA-N 0 1 359.253 3.012 20 10 FGCDMN COC(=O)[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807838041 725171815 /nfs/dbraw/zinc/17/18/15/725171815.db2.gz JPIGQYMUHRVBGL-UWVGGRQHSA-N 0 1 360.237 3.295 20 10 FGCDMN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838924 725171982 /nfs/dbraw/zinc/17/19/82/725171982.db2.gz CSRAWUHOPLJVAW-UHFFFAOYSA-N 0 1 371.176 3.302 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCCO2 ZINC000807840179 725172205 /nfs/dbraw/zinc/17/22/05/725172205.db2.gz SLPFJPPYQAFJCK-UHFFFAOYSA-N 0 1 354.189 3.400 20 10 FGCDMN Cc1ccccc1C(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840092 725172264 /nfs/dbraw/zinc/17/22/64/725172264.db2.gz XWJVYWOEAYHOSG-UHFFFAOYSA-N 0 1 367.232 3.054 20 10 FGCDMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1[N+](=O)[O-] ZINC000808113774 725184462 /nfs/dbraw/zinc/18/44/62/725184462.db2.gz IYEFJUZPAXPPFH-UHFFFAOYSA-N 0 1 360.750 3.202 20 10 FGCDMN O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000808422130 725200385 /nfs/dbraw/zinc/20/03/85/725200385.db2.gz FWDIZKZQVZQWOA-LLVKDONJSA-N 0 1 364.795 3.469 20 10 FGCDMN CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809714076 725261896 /nfs/dbraw/zinc/26/18/96/725261896.db2.gz XPJQEMAVIRPBNA-UHFFFAOYSA-N 0 1 369.849 3.178 20 10 FGCDMN CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809714076 725261899 /nfs/dbraw/zinc/26/18/99/725261899.db2.gz XPJQEMAVIRPBNA-UHFFFAOYSA-N 0 1 369.849 3.178 20 10 FGCDMN CN(Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)C(F)(F)F ZINC000809750710 725264864 /nfs/dbraw/zinc/26/48/64/725264864.db2.gz FJPLSHKOGRJQPT-KRWDZBQOSA-N 0 1 355.356 3.326 20 10 FGCDMN O=C(c1cccc(F)c1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484974 727167226 /nfs/dbraw/zinc/16/72/26/727167226.db2.gz VPXBIFRAONJHCR-UHFFFAOYSA-N 0 1 366.795 3.282 20 10 FGCDMN CCc1nsc(N2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000816519503 727170887 /nfs/dbraw/zinc/17/08/87/727170887.db2.gz LUKMOMJTKIYDCO-UHFFFAOYSA-N 0 1 370.881 3.311 20 10 FGCDMN CC(C)n1cc(C(C)(C)NCc2cc(Br)ccc2O)nn1 ZINC000817419097 727249686 /nfs/dbraw/zinc/24/96/86/727249686.db2.gz AYKSNDYTUNJXRP-UHFFFAOYSA-N 0 1 353.264 3.352 20 10 FGCDMN C[C@@]1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817549000 727264008 /nfs/dbraw/zinc/26/40/08/727264008.db2.gz GPMCEQSCNSFNQU-CJNGLKHVSA-N 0 1 358.816 3.172 20 10 FGCDMN O=C(Nc1nc(CN2CCCCCC2)cs1)c1c(F)ccc(O)c1O ZINC000824103272 729319627 /nfs/dbraw/zinc/31/96/27/729319627.db2.gz GUVLLNSZRMHRFM-UHFFFAOYSA-N 0 1 365.430 3.322 20 10 FGCDMN Cc1cc([O-])c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1Cl ZINC000824593893 729349691 /nfs/dbraw/zinc/34/96/91/729349691.db2.gz UMNXTGRGQKFIFE-UHFFFAOYSA-N 0 1 364.795 3.245 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824636530 729352194 /nfs/dbraw/zinc/35/21/94/729352194.db2.gz RSOVWRROCNDSFK-KBXCAEBGSA-N 0 1 353.796 3.485 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124793 729371752 /nfs/dbraw/zinc/37/17/52/729371752.db2.gz YIHBNDXSISZVTK-NOZJJQNGSA-N 0 1 368.193 3.208 20 10 FGCDMN CCNC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825125011 729372071 /nfs/dbraw/zinc/37/20/71/729372071.db2.gz CKQUWTJGLFEFCY-UHFFFAOYSA-N 0 1 362.857 3.159 20 10 FGCDMN Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(Br)cc2[O-])c(C)o1 ZINC000825303648 729377826 /nfs/dbraw/zinc/37/78/26/729377826.db2.gz KXQZJNHKBIWMPS-MRXNPFEDSA-N 0 1 354.244 3.362 20 10 FGCDMN COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825489042 729384978 /nfs/dbraw/zinc/38/49/78/729384978.db2.gz CIRJQFNBOKWDHR-CQSZACIVSA-N 0 1 354.244 3.485 20 10 FGCDMN CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825651112 729390393 /nfs/dbraw/zinc/39/03/93/729390393.db2.gz DBDIIKJKVNDOJG-UHFFFAOYSA-N 0 1 354.859 3.320 20 10 FGCDMN OC[C@H]1CN(Cc2ccc(Br)cc2O)CC[C@H]1C(F)(F)F ZINC000825887629 729398442 /nfs/dbraw/zinc/39/84/42/729398442.db2.gz VSAFRKXYYQJENN-ZYHUDNBSSA-N 0 1 368.193 3.147 20 10 FGCDMN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825892751 729398675 /nfs/dbraw/zinc/39/86/75/729398675.db2.gz IRSWHBOVRZNVBO-AWEZNQCLSA-N 0 1 355.276 3.035 20 10 FGCDMN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825892751 729398677 /nfs/dbraw/zinc/39/86/77/729398677.db2.gz IRSWHBOVRZNVBO-AWEZNQCLSA-N 0 1 355.276 3.035 20 10 FGCDMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000835081585 729857216 /nfs/dbraw/zinc/85/72/16/729857216.db2.gz JUFMWQBYKXVPQY-CQSZACIVSA-N 0 1 370.877 3.161 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)c(Cl)c1 ZINC000840897296 730189262 /nfs/dbraw/zinc/18/92/62/730189262.db2.gz QPQNKOPQYPEADA-UHFFFAOYSA-N 0 1 368.886 3.040 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1[O-] ZINC000841751945 730270725 /nfs/dbraw/zinc/27/07/25/730270725.db2.gz OZNWIBCINUYIPR-BXKDBHETSA-N 0 1 350.768 3.250 20 10 FGCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@]1(O)CCc2ccccc21 ZINC000843420337 730618824 /nfs/dbraw/zinc/61/88/24/730618824.db2.gz CNHBLCKELJHBHO-GOSISDBHSA-N 0 1 362.267 3.421 20 10 FGCDMN O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1Cc1cccc(Cl)c1O ZINC000843420751 730618917 /nfs/dbraw/zinc/61/89/17/730618917.db2.gz GJBRPBJIFGQWAZ-SFHVURJKSA-N 0 1 356.853 3.251 20 10 FGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(C(F)F)CC1 ZINC000843832945 730658921 /nfs/dbraw/zinc/65/89/21/730658921.db2.gz YXIRZPKWSPOJEI-CYBMUJFWSA-N 0 1 358.816 3.172 20 10 FGCDMN CN(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000844900972 730787141 /nfs/dbraw/zinc/78/71/41/730787141.db2.gz CIYMYGIXJANZTK-MRXNPFEDSA-N 0 1 365.836 3.287 20 10 FGCDMN COCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](O)C(F)(F)F ZINC000848921451 731220962 /nfs/dbraw/zinc/22/09/62/731220962.db2.gz BHQGUIACIMORNE-LLVKDONJSA-N 0 1 362.175 3.071 20 10 FGCDMN COc1ccc(N2CC[C@H](NCc3ncc(Br)s3)C2)cc1 ZINC000850347148 731345441 /nfs/dbraw/zinc/34/54/41/731345441.db2.gz OQJHAZJWXKGUBH-NSHDSACASA-N 0 1 368.300 3.283 20 10 FGCDMN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000850502821 731366012 /nfs/dbraw/zinc/36/60/12/731366012.db2.gz RHKVRDFYLPOTLD-FIRUKDTASA-N 0 1 372.303 3.371 20 10 FGCDMN COCCCOC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862247831 732797819 /nfs/dbraw/zinc/79/78/19/732797819.db2.gz NFUZRUFEHBWKEY-UHFFFAOYSA-N 0 1 358.276 3.172 20 10 FGCDMN Oc1cccc(Br)c1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000862250739 732798725 /nfs/dbraw/zinc/79/87/25/732798725.db2.gz SSKQAAWISUCQIC-ZDUSSCGKSA-N 0 1 368.193 3.290 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000862329592 732809315 /nfs/dbraw/zinc/80/93/15/732809315.db2.gz ZWSVYSGKFVJXQG-UHFFFAOYSA-N 0 1 358.301 3.253 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000862329592 732809320 /nfs/dbraw/zinc/80/93/20/732809320.db2.gz ZWSVYSGKFVJXQG-UHFFFAOYSA-N 0 1 358.301 3.253 20 10 FGCDMN CN(C)c1cc(F)c(CNC/C=C/CNC(=O)OC(C)(C)C)cc1F ZINC000862351301 732813473 /nfs/dbraw/zinc/81/34/73/732813473.db2.gz JYOSXRWGZNOOEJ-VOTSOKGWSA-N 0 1 355.429 3.201 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873228086 735740269 /nfs/dbraw/zinc/74/02/69/735740269.db2.gz PFASZCUFTGJNOR-MNOVXSKESA-N 0 1 367.209 3.032 20 10 FGCDMN CCOC1CC2(C[C@H]2NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000873278218 735745433 /nfs/dbraw/zinc/74/54/33/735745433.db2.gz CFBAPARWRNYDRM-RYCVTPFZSA-N 0 1 359.253 3.456 20 10 FGCDMN OC1CCN(c2ccc(CN3CCN(c4cccs4)CC3)cc2)CC1 ZINC000876770281 736141713 /nfs/dbraw/zinc/14/17/13/736141713.db2.gz BPAYIRAUAIJACB-UHFFFAOYSA-N 0 1 357.523 3.031 20 10 FGCDMN CC(C)CO[C@H](C)c1noc(CN(C)Cc2cc(F)cc(F)c2O)n1 ZINC000894083825 742236489 /nfs/dbraw/zinc/23/64/89/742236489.db2.gz GQNRYGVWDCFGHY-LLVKDONJSA-N 0 1 355.385 3.419 20 10 FGCDMN COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000896968609 742624118 /nfs/dbraw/zinc/62/41/18/742624118.db2.gz IWZHKRCNDNROAX-JTQLQIEISA-N 0 1 352.843 3.278 20 10 FGCDMN COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000896968609 742624120 /nfs/dbraw/zinc/62/41/20/742624120.db2.gz IWZHKRCNDNROAX-JTQLQIEISA-N 0 1 352.843 3.278 20 10 FGCDMN COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)s1 ZINC000896968497 742624160 /nfs/dbraw/zinc/62/41/60/742624160.db2.gz AXKGTPQWBCPUAS-SECBINFHSA-N 0 1 370.833 3.417 20 10 FGCDMN [O-]c1c(F)c(F)ccc1C[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000897351991 742671506 /nfs/dbraw/zinc/67/15/06/742671506.db2.gz UJEHSBWWMCCNJY-UHFFFAOYSA-N 0 1 370.197 3.392 20 10 FGCDMN Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)n1 ZINC000897576240 742691422 /nfs/dbraw/zinc/69/14/22/742691422.db2.gz CINIWQGELVQWAH-GFCCVEGCSA-N 0 1 366.259 3.301 20 10 FGCDMN Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)n1 ZINC000897576240 742691425 /nfs/dbraw/zinc/69/14/25/742691425.db2.gz CINIWQGELVQWAH-GFCCVEGCSA-N 0 1 366.259 3.301 20 10 FGCDMN COc1cc(Br)cc(CNCc2cc(C3CC3)n(C)n2)c1O ZINC000922957260 759039396 /nfs/dbraw/zinc/03/93/96/759039396.db2.gz RQVZGDZGEZHSGC-UHFFFAOYSA-N 0 1 366.259 3.064 20 10 FGCDMN CN(Cc1ccccc1O)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000043136902 494268019 /nfs/dbraw/zinc/26/80/19/494268019.db2.gz HFYOMEAVFBRXJM-QGZVFWFLSA-N 0 1 357.454 3.354 20 10 FGCDMN Cc1ccc(O)c(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000092512083 494652184 /nfs/dbraw/zinc/65/21/84/494652184.db2.gz WIHXUBFYXLWRKK-UHFFFAOYSA-N 0 1 363.479 3.005 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1[O-] ZINC000093200669 494842290 /nfs/dbraw/zinc/84/22/90/494842290.db2.gz NCUCXAKXQOENKA-AWEZNQCLSA-N 0 1 360.433 3.286 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1[O-] ZINC000093200669 494842294 /nfs/dbraw/zinc/84/22/94/494842294.db2.gz NCUCXAKXQOENKA-AWEZNQCLSA-N 0 1 360.433 3.286 20 10 FGCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nncn3C(C)C)C2)c1O ZINC000093200669 494842300 /nfs/dbraw/zinc/84/23/00/494842300.db2.gz NCUCXAKXQOENKA-AWEZNQCLSA-N 0 1 360.433 3.286 20 10 FGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000113324371 495296420 /nfs/dbraw/zinc/29/64/20/495296420.db2.gz LNKLXMYMBRNZNX-UHFFFAOYSA-N 0 1 350.821 3.311 20 10 FGCDMN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2ccccc2c1[O-] ZINC000186100662 495855836 /nfs/dbraw/zinc/85/58/36/495855836.db2.gz UVHOSSGYQGPTLD-CQSZACIVSA-N 0 1 374.506 3.153 20 10 FGCDMN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000180594926 496060259 /nfs/dbraw/zinc/06/02/59/496060259.db2.gz JGUIRQMBAFUWST-DYLHUKMJSA-N 0 1 356.422 3.047 20 10 FGCDMN CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Br)ccc1[O-] ZINC000185211231 496704995 /nfs/dbraw/zinc/70/49/95/496704995.db2.gz JHQNDFHMGYUYOS-OAHLLOKOSA-N 0 1 371.319 3.306 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cc(Cl)ccc1[O-] ZINC000273370026 496786909 /nfs/dbraw/zinc/78/69/09/496786909.db2.gz FWQWFPVOFLMVOA-CQSZACIVSA-N 0 1 374.868 3.369 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Cl)ccc1[O-] ZINC000273383090 496790194 /nfs/dbraw/zinc/79/01/94/496790194.db2.gz CGRODFXKTIDOSJ-GUYCJALGSA-N 0 1 359.857 3.282 20 10 FGCDMN C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000273435063 496804701 /nfs/dbraw/zinc/80/47/01/496804701.db2.gz WSHIMCBDDSMIAB-GFCCVEGCSA-N 0 1 353.871 3.441 20 10 FGCDMN CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C[C@@H](O)C(F)(F)F ZINC000274045246 497001601 /nfs/dbraw/zinc/00/16/01/497001601.db2.gz MDXCKVSWVGZSLJ-QGZVFWFLSA-N 0 1 360.420 3.047 20 10 FGCDMN C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Br)cc1[O-] ZINC000274336819 497073864 /nfs/dbraw/zinc/07/38/64/497073864.db2.gz CETKQGJJZRMZBN-SNVBAGLBSA-N 0 1 368.300 3.350 20 10 FGCDMN Cc1cc([C@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)n[nH]1 ZINC000282521562 498544242 /nfs/dbraw/zinc/54/42/42/498544242.db2.gz UNUWIXLMHPKRNH-SFHVURJKSA-N 0 1 367.497 3.408 20 10 FGCDMN CC(C)c1nc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n[nH]1 ZINC000298216713 498697946 /nfs/dbraw/zinc/69/79/46/498697946.db2.gz VHBDIWYAQWDNFP-UHFFFAOYSA-N 0 1 358.490 3.114 20 10 FGCDMN Cc1nccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000576096226 506075904 /nfs/dbraw/zinc/07/59/04/506075904.db2.gz QICVAVVKTFLDOX-UHFFFAOYSA-N 0 1 363.465 3.145 20 10 FGCDMN COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1ccc(F)c(F)c1O ZINC000287603206 498810073 /nfs/dbraw/zinc/81/00/73/498810073.db2.gz SDSJIGXDSAITKT-JTQLQIEISA-N 0 1 371.405 3.397 20 10 FGCDMN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C2 ZINC000363866018 499031273 /nfs/dbraw/zinc/03/12/73/499031273.db2.gz OAQNPSVFAISBFI-IINYFYTJSA-N 0 1 362.271 3.461 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1[N+](=O)[O-] ZINC000284508672 499117879 /nfs/dbraw/zinc/11/78/79/499117879.db2.gz YETCYEYYXKQIOR-RISCZKNCSA-N 0 1 361.225 3.325 20 10 FGCDMN C[C@H](NCc1cnc2n1CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000367438568 499199135 /nfs/dbraw/zinc/19/91/35/499199135.db2.gz NUILNLCHPNVIEL-HNNXBMFYSA-N 0 1 358.461 3.046 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000370373591 499214334 /nfs/dbraw/zinc/21/43/34/499214334.db2.gz JXSMKOWVROMULG-WBVHZDCISA-N 0 1 356.441 3.273 20 10 FGCDMN COc1ccc(N2CCC(N[C@@H](CO)c3c(F)cccc3F)CC2)cc1 ZINC000371432003 499325813 /nfs/dbraw/zinc/32/58/13/499325813.db2.gz IDRPEDKTADUYTK-IBGZPJMESA-N 0 1 362.420 3.265 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)ccc1[O-] ZINC000376302014 499598802 /nfs/dbraw/zinc/59/88/02/499598802.db2.gz IMHAVCFCUQIZAB-RBOXIYTFSA-N 0 1 356.260 3.143 20 10 FGCDMN CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000378007549 499754709 /nfs/dbraw/zinc/75/47/09/499754709.db2.gz QEGPYYQBTJFSGE-ZWKOTPCHSA-N 0 1 362.445 3.099 20 10 FGCDMN CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007549 499754711 /nfs/dbraw/zinc/75/47/11/499754711.db2.gz QEGPYYQBTJFSGE-ZWKOTPCHSA-N 0 1 362.445 3.099 20 10 FGCDMN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000378007549 499754712 /nfs/dbraw/zinc/75/47/12/499754712.db2.gz QEGPYYQBTJFSGE-ZWKOTPCHSA-N 0 1 362.445 3.099 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CC(F)(F)F)C1 ZINC000435534244 500989062 /nfs/dbraw/zinc/98/90/62/500989062.db2.gz MERBVZBZMXPMSE-UHFFFAOYSA-N 0 1 367.415 3.429 20 10 FGCDMN COc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000527990303 504029671 /nfs/dbraw/zinc/02/96/71/504029671.db2.gz MGZBFRRSGOBACJ-NSHDSACASA-N 0 1 351.244 3.452 20 10 FGCDMN Cc1ccnc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000539519573 504597654 /nfs/dbraw/zinc/59/76/54/504597654.db2.gz BOEAGUSMZCPKGY-UHFFFAOYSA-N 0 1 363.465 3.145 20 10 FGCDMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829163603 601253776 /nfs/dbraw/zinc/25/37/76/601253776.db2.gz YHEBJTYYRRRMLD-VTBIRBAPSA-N 0 1 359.426 3.146 20 10 FGCDMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829163600 601253926 /nfs/dbraw/zinc/25/39/26/601253926.db2.gz YHEBJTYYRRRMLD-FEPMCFLQSA-N 0 1 359.426 3.146 20 10 FGCDMN CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)ccc1[O-] ZINC000037152651 695754359 /nfs/dbraw/zinc/75/43/59/695754359.db2.gz KJTAONFCHLUEJZ-MMWSSPAHSA-N 0 1 355.276 3.240 20 10 FGCDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1O ZINC000109771692 700536520 /nfs/dbraw/zinc/53/65/20/700536520.db2.gz IEVKILGLAAJONY-NSHDSACASA-N 0 1 363.801 3.413 20 10 FGCDMN O=C(Nc1ccccn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000109846979 700537413 /nfs/dbraw/zinc/53/74/13/700537413.db2.gz UXYAOKHHQUMKLE-HNNXBMFYSA-N 0 1 360.845 3.227 20 10 FGCDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123720499 700709188 /nfs/dbraw/zinc/70/91/88/700709188.db2.gz VLMGEUBWVSAOPO-JQWIXIFHSA-N 0 1 354.166 3.042 20 10 FGCDMN CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000128837692 700780290 /nfs/dbraw/zinc/78/02/90/700780290.db2.gz JRKDBOOLSFPBJD-GWCFXTLKSA-N 0 1 357.292 3.499 20 10 FGCDMN COc1cc(Br)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1[O-] ZINC000129917995 700793742 /nfs/dbraw/zinc/79/37/42/700793742.db2.gz ULJJKTGBWSDWQD-LLVKDONJSA-N 0 1 356.260 3.164 20 10 FGCDMN COc1cc(Br)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1[O-] ZINC000129917995 700793745 /nfs/dbraw/zinc/79/37/45/700793745.db2.gz ULJJKTGBWSDWQD-LLVKDONJSA-N 0 1 356.260 3.164 20 10 FGCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000171409034 705383862 /nfs/dbraw/zinc/38/38/62/705383862.db2.gz DQZWVLNUGJIEML-IUODEOHRSA-N 0 1 363.483 3.125 20 10 FGCDMN Cc1cc([C@](C)(O)C[NH2+]Cc2cc(Br)ccc2[O-])c(C)o1 ZINC000174442616 705504293 /nfs/dbraw/zinc/50/42/93/705504293.db2.gz FSSDRADGCXDMAS-MRXNPFEDSA-N 0 1 354.244 3.362 20 10 FGCDMN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(O)cc2C)cc1Cl ZINC000174728671 705516542 /nfs/dbraw/zinc/51/65/42/705516542.db2.gz IMWUPPYPINIABM-UHFFFAOYSA-N 0 1 372.805 3.252 20 10 FGCDMN Cc1nc(Cl)ccc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000323314735 713814367 /nfs/dbraw/zinc/81/43/67/713814367.db2.gz GYHQWJSPUTWBGG-UHFFFAOYSA-N 0 1 351.859 3.444 20 10 FGCDMN COC(=O)[C@@H](NCc1cccc(Cl)c1O)c1ccc(OC)cc1OC ZINC000779180813 724398543 /nfs/dbraw/zinc/39/85/43/724398543.db2.gz MSFZKFCISWUEMH-INIZCTEOSA-N 0 1 365.813 3.067 20 10 FGCDMN O=C(/C=C\c1ccc[nH]1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000783676452 724778049 /nfs/dbraw/zinc/77/80/49/724778049.db2.gz JTAOPYSVKVJWTH-BQLWYNFJSA-N 0 1 359.857 3.168 20 10 FGCDMN O=C(/C=C\c1ccc[nH]1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000783676452 724778053 /nfs/dbraw/zinc/77/80/53/724778053.db2.gz JTAOPYSVKVJWTH-BQLWYNFJSA-N 0 1 359.857 3.168 20 10 FGCDMN O=C(/C=C\c1ccc[nH]1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000783676452 724778055 /nfs/dbraw/zinc/77/80/55/724778055.db2.gz JTAOPYSVKVJWTH-BQLWYNFJSA-N 0 1 359.857 3.168 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000725846467 722424673 /nfs/dbraw/zinc/42/46/73/722424673.db2.gz JGAWKYSKUMJBMV-CYBMUJFWSA-N 0 1 368.246 3.235 20 10 FGCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000728945460 722455970 /nfs/dbraw/zinc/45/59/70/722455970.db2.gz USCKQLFYIOHUOR-BLLLJJGKSA-N 0 1 363.483 3.125 20 10 FGCDMN CN(C)c1ccc(CN(C)C(=O)c2cccc(Br)c2O)cc1 ZINC000730103512 722465294 /nfs/dbraw/zinc/46/52/94/722465294.db2.gz APQBCWKXEAZHLE-UHFFFAOYSA-N 0 1 363.255 3.493 20 10 FGCDMN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c(C)o1 ZINC000754754706 722945340 /nfs/dbraw/zinc/94/53/40/722945340.db2.gz PUMGGZSGRRGLRN-UHFFFAOYSA-N 0 1 367.423 3.313 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cc(Cl)ccc1[O-] ZINC000756741469 722969446 /nfs/dbraw/zinc/96/94/46/722969446.db2.gz FDZPBBSXYRNLLI-NSHDSACASA-N 0 1 351.855 3.226 20 10 FGCDMN COc1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1Br ZINC000789990213 723091640 /nfs/dbraw/zinc/09/16/40/723091640.db2.gz 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C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825277740 729376815 /nfs/dbraw/zinc/37/68/15/729376815.db2.gz FKOCBMOSKOXEAY-MLGOLLRUSA-N 0 1 350.256 3.409 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000825536194 729386943 /nfs/dbraw/zinc/38/69/43/729386943.db2.gz GVACBRLASFLDPC-UHFFFAOYSA-N 0 1 358.301 3.253 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000825536194 729386944 /nfs/dbraw/zinc/38/69/44/729386944.db2.gz GVACBRLASFLDPC-UHFFFAOYSA-N 0 1 358.301 3.253 20 10 FGCDMN Cc1cc([O-])c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl ZINC000825715709 729392591 /nfs/dbraw/zinc/39/25/91/729392591.db2.gz DZMLEBLVLNGWJS-UHFFFAOYSA-N 0 1 350.806 3.296 20 10 FGCDMN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000826122962 729405662 /nfs/dbraw/zinc/40/56/62/729405662.db2.gz AITYAPPMWHNHBW-OAHLLOKOSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC000826122962 729405663 /nfs/dbraw/zinc/40/56/63/729405663.db2.gz AITYAPPMWHNHBW-OAHLLOKOSA-N 0 1 367.287 3.132 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(Cl)ccc1[O-] ZINC000834910484 729845925 /nfs/dbraw/zinc/84/59/25/729845925.db2.gz HVRSAFINRLKFGM-OCCSQVGLSA-N 0 1 370.877 3.332 20 10 FGCDMN C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)c2nccn21 ZINC000836626394 729963099 /nfs/dbraw/zinc/96/30/99/729963099.db2.gz BQRHUQDSKJFNAP-PRHODGIISA-N 0 1 355.225 3.401 20 10 FGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1[O-] ZINC000840797086 730175258 /nfs/dbraw/zinc/17/52/58/730175258.db2.gz PTAPGGVXPYWXPW-CJNGLKHVSA-N 0 1 369.889 3.420 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c(Cl)c1 ZINC000840879022 730187187 /nfs/dbraw/zinc/18/71/87/730187187.db2.gz BJLXMFCCDAWYDL-UHFFFAOYSA-N 0 1 360.885 3.476 20 10 FGCDMN C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1[O-] ZINC000841751491 730270489 /nfs/dbraw/zinc/27/04/89/730270489.db2.gz NITFMOLCQFJMRS-LLVKDONJSA-N 0 1 374.915 3.078 20 10 FGCDMN C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752705 730270722 /nfs/dbraw/zinc/27/07/22/730270722.db2.gz VFSFEGOARXOUJH-OLZOCXBDSA-N 0 1 357.841 3.495 20 10 FGCDMN COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841751519 730270801 /nfs/dbraw/zinc/27/08/01/730270801.db2.gz HQENERMDLXIPMO-CYBMUJFWSA-N 0 1 362.857 3.064 20 10 FGCDMN COc1cc(CNCc2c(O)cccc2OC)c(Br)cc1O ZINC000842780058 730542789 /nfs/dbraw/zinc/54/27/89/730542789.db2.gz YTOJOUDLONABOF-UHFFFAOYSA-N 0 1 368.227 3.167 20 10 FGCDMN COC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000850494474 731364087 /nfs/dbraw/zinc/36/40/87/731364087.db2.gz RYBDXKJUPKUZLF-XHDPSFHLSA-N 0 1 358.276 3.247 20 10 FGCDMN C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000850498148 731364826 /nfs/dbraw/zinc/36/48/26/731364826.db2.gz XWRZYWSFYCNXGK-FFVOIRBGSA-N 0 1 374.222 3.116 20 10 FGCDMN C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000850556876 731372677 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C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC000858138751 732185079 /nfs/dbraw/zinc/18/50/79/732185079.db2.gz JTKPLSJYCJDDNQ-MLGOLLRUSA-N 0 1 350.256 3.409 20 10 FGCDMN Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2c([O-])cccc2Br)cn1 ZINC000858191945 732191014 /nfs/dbraw/zinc/19/10/14/732191014.db2.gz FRKABGARJSPBAV-CJNGLKHVSA-N 0 1 364.287 3.389 20 10 FGCDMN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cc(Br)ccc2[O-])n1 ZINC000858591548 732229573 /nfs/dbraw/zinc/22/95/73/732229573.db2.gz GBMSSJVXXXDXNI-PELMWDNLSA-N 0 1 368.231 3.027 20 10 FGCDMN CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000859812691 732398127 /nfs/dbraw/zinc/39/81/27/732398127.db2.gz VYHYACGPLQAUDK-CXAGYDPISA-N 0 1 356.388 3.458 20 10 FGCDMN CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCc1cc(Cl)cc(Cl)c1O)OC2=O ZINC000861729440 732724309 /nfs/dbraw/zinc/72/43/09/732724309.db2.gz XMOSKNYHJAPRKQ-DLBZAZTESA-N 0 1 372.248 3.437 20 10 FGCDMN Oc1cccc(Br)c1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000862371561 732818578 /nfs/dbraw/zinc/81/85/78/732818578.db2.gz HWLASNWHKWZOFL-LLVKDONJSA-N 0 1 356.651 3.452 20 10 FGCDMN OC1CCN(c2ccc(CNCc3cnc(Cl)c(F)c3)cc2F)CC1 ZINC000865427071 733198275 /nfs/dbraw/zinc/19/82/75/733198275.db2.gz MRHGNEVBKSMMNG-UHFFFAOYSA-N 0 1 367.827 3.264 20 10 FGCDMN [O-]c1c(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc(F)c1F ZINC000877538107 736680927 /nfs/dbraw/zinc/68/09/27/736680927.db2.gz VLOGRMKSNQNBAX-LJQANCHMSA-N 0 1 351.368 3.237 20 10 FGCDMN COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])[C@H]1CCCOC1 ZINC000886789670 739299734 /nfs/dbraw/zinc/29/97/34/739299734.db2.gz ZNZDYUXRKVEFEY-XUJVJEKNSA-N 0 1 358.276 3.247 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000894888464 742347890 /nfs/dbraw/zinc/34/78/90/742347890.db2.gz FYHLFABRZMOOJT-GFCCVEGCSA-N 0 1 356.594 3.010 20 10 FGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000894888464 742347896 /nfs/dbraw/zinc/34/78/96/742347896.db2.gz FYHLFABRZMOOJT-GFCCVEGCSA-N 0 1 356.594 3.010 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895837942 742460519 /nfs/dbraw/zinc/46/05/19/742460519.db2.gz YQLSDAKKUCNHGE-ZDUSSCGKSA-N 0 1 368.193 3.210 20 10 FGCDMN COc1cccc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)c1OC ZINC000901947591 743684227 /nfs/dbraw/zinc/68/42/27/743684227.db2.gz MRAAYVLJKGLOPX-UHFFFAOYSA-N 0 1 351.424 3.334 20 10 FGCDMN C[C@@H](NCc1cnn(CCF)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000903273626 743833430 /nfs/dbraw/zinc/83/34/30/743833430.db2.gz CJXPVROXCJXZQI-CQSZACIVSA-N 0 1 366.868 3.193 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1cc(Br)ccc1[O-] ZINC000903390662 743843904 /nfs/dbraw/zinc/84/39/04/743843904.db2.gz SPAYQUPUIATUDT-NHYWBVRUSA-N 0 1 356.260 3.143 20 10 FGCDMN Cc1cc(CN2CCC[C@@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000917462177 758224621 /nfs/dbraw/zinc/22/46/21/758224621.db2.gz BCGIMMCLKZCWAU-OAHLLOKOSA-N 0 1 353.528 3.255 20 10 FGCDMN COc1cc(Br)cc(CN2CCC[C@H](n3cccn3)C2)c1O ZINC000092967174 494796905 /nfs/dbraw/zinc/79/69/05/494796905.db2.gz ZPXFZYBOCVXSNZ-AWEZNQCLSA-N 0 1 366.259 3.197 20 10 FGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000132565830 494893202 /nfs/dbraw/zinc/89/32/02/494893202.db2.gz RPMRRIIXNYXYGX-GOSISDBHSA-N 0 1 352.482 3.479 20 10 FGCDMN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000187722453 496546562 /nfs/dbraw/zinc/54/65/62/496546562.db2.gz ZPXICJMOWZXGQR-KEYYUXOJSA-N 0 1 356.457 3.458 20 10 FGCDMN C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187798543 496576244 /nfs/dbraw/zinc/57/62/44/496576244.db2.gz OOGWCWZAYQQBQT-JLZZUVOBSA-N 0 1 354.441 3.089 20 10 FGCDMN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000279120859 497340384 /nfs/dbraw/zinc/34/03/84/497340384.db2.gz QCUYUAWMVJAQSZ-SNVBAGLBSA-N 0 1 364.243 3.359 20 10 FGCDMN C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271536672 497376207 /nfs/dbraw/zinc/37/62/07/497376207.db2.gz XTPMUZHZYOJCHJ-AUUYWEPGSA-N 0 1 362.420 3.186 20 10 FGCDMN Cc1cc(C(=O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263577722 497802684 /nfs/dbraw/zinc/80/26/84/497802684.db2.gz RTUJRXXEXLXEGA-NRFANRHFSA-N 0 1 354.450 3.382 20 10 FGCDMN CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1O ZINC000364256832 497864536 /nfs/dbraw/zinc/86/45/36/497864536.db2.gz AWYRDVRQZHBFDA-QGZVFWFLSA-N 0 1 358.438 3.357 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc2ccccc2c1[O-] ZINC000360167315 498252846 /nfs/dbraw/zinc/25/28/46/498252846.db2.gz ZQGQSZCUOPAAPU-IFXJQAMLSA-N 0 1 351.450 3.462 20 10 FGCDMN COc1ccc(F)c(CNCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000293630103 498433060 /nfs/dbraw/zinc/43/30/60/498433060.db2.gz QYXMQYYEBIPVSV-UHFFFAOYSA-N 0 1 358.457 3.333 20 10 FGCDMN O=C(NC1CCN(Cc2cc(Br)ccc2O)CC1)C1CCC1 ZINC000362099520 498464179 /nfs/dbraw/zinc/46/41/79/498464179.db2.gz QOIOHMPGPKZAJQ-UHFFFAOYSA-N 0 1 367.287 3.035 20 10 FGCDMN CC(=O)N(Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1)C(C)C ZINC000294749432 498793253 /nfs/dbraw/zinc/79/32/53/498793253.db2.gz AKNDYYPQWAPKHD-UHFFFAOYSA-N 0 1 360.385 3.246 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCN(c3cccnn3)CC2)c1[O-] ZINC000370425327 499219651 /nfs/dbraw/zinc/21/96/51/499219651.db2.gz QHPLSBJRXBZTRN-UHFFFAOYSA-N 0 1 374.872 3.139 20 10 FGCDMN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000375266569 499500996 /nfs/dbraw/zinc/50/09/96/499500996.db2.gz MHTHZUCQFCMJQR-AWEZNQCLSA-N 0 1 353.825 3.109 20 10 FGCDMN CC(=O)c1cc(Cl)cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000375536562 499529840 /nfs/dbraw/zinc/52/98/40/499529840.db2.gz YIHFPDSXHDOZDX-MRXNPFEDSA-N 0 1 356.813 3.246 20 10 FGCDMN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000376212581 499591548 /nfs/dbraw/zinc/59/15/48/499591548.db2.gz UURUKNTWTWDQFT-JKSUJKDBSA-N 0 1 367.287 3.130 20 10 FGCDMN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000376212581 499591549 /nfs/dbraw/zinc/59/15/49/499591549.db2.gz UURUKNTWTWDQFT-JKSUJKDBSA-N 0 1 367.287 3.130 20 10 FGCDMN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000376525501 499615411 /nfs/dbraw/zinc/61/54/11/499615411.db2.gz FQRVGAOESMIJQE-ZDUSSCGKSA-N 0 1 369.252 3.309 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C[C@H]2C2CC2)C1 ZINC000431165833 500344700 /nfs/dbraw/zinc/34/47/00/500344700.db2.gz HJGLDRBWGLFWRJ-PKOBYXMFSA-N 0 1 351.494 3.323 20 10 FGCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000437013750 500592984 /nfs/dbraw/zinc/59/29/84/500592984.db2.gz CCQVMZUCCWHCLS-UHFFFAOYSA-N 0 1 366.396 3.321 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2(C(F)F)CC2)C1 ZINC000500300158 503599144 /nfs/dbraw/zinc/59/91/44/503599144.db2.gz USFFARYOCZJJPX-UHFFFAOYSA-N 0 1 361.436 3.322 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@@H](F)C2)C1 ZINC000557953271 505270871 /nfs/dbraw/zinc/27/08/71/505270871.db2.gz YUCFWEFMYMCRCW-HZPDHXFCSA-N 0 1 357.473 3.415 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2cn[nH]c2)C1 ZINC000564283532 505371222 /nfs/dbraw/zinc/37/12/22/505371222.db2.gz RALUSPXICRDPPX-OAHLLOKOSA-N 0 1 365.481 3.008 20 10 FGCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736137166 598275037 /nfs/dbraw/zinc/27/50/37/598275037.db2.gz VZRVNUWUWNTMAK-JTQLQIEISA-N 0 1 374.242 3.186 20 10 FGCDMN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)Cc1cc2ccccc2[nH]c1=O ZINC000739793318 600315795 /nfs/dbraw/zinc/31/57/95/600315795.db2.gz FKQAZJINQCTNEB-UHFFFAOYSA-N 0 1 372.808 3.386 20 10 FGCDMN CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737519204 600461450 /nfs/dbraw/zinc/46/14/50/600461450.db2.gz HYZVVYKHAIWEID-MOPGFXCFSA-N 0 1 354.450 3.302 20 10 FGCDMN O=C([O-])[C@@]1(F)CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000833175053 601371121 /nfs/dbraw/zinc/37/11/21/601371121.db2.gz MPNQGTZTQKIROW-MRXNPFEDSA-N 0 1 368.202 3.307 20 10 FGCDMN O=C([O-])/C=C\c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000833195280 604801177 /nfs/dbraw/zinc/80/11/77/604801177.db2.gz DYXITKVMPNZYEB-XZQPKOJISA-N 0 1 371.437 3.146 20 10 FGCDMN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](NC(=O)[O-])C[C@H]2C)c1O ZINC000833897387 605996349 /nfs/dbraw/zinc/99/63/49/605996349.db2.gz JRIASVAXYZPQOK-MFKMUULPSA-N 0 1 357.248 3.084 20 10 FGCDMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)ccc2O1 ZINC000106354775 700508259 /nfs/dbraw/zinc/50/82/59/700508259.db2.gz AFHZFPYRQYLCTP-LLVKDONJSA-N 0 1 373.459 3.329 20 10 FGCDMN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000113343500 700570857 /nfs/dbraw/zinc/57/08/57/700570857.db2.gz SZIDTJIMOVQKNB-CYBMUJFWSA-N 0 1 371.275 3.254 20 10 FGCDMN COc1ccc([C@@H](C[NH2+]Cc2c([O-])cccc2Cl)N(C)C)cc1OC ZINC000113313402 700571035 /nfs/dbraw/zinc/57/10/35/700571035.db2.gz AATFEWRKVJECFG-MRXNPFEDSA-N 0 1 364.873 3.455 20 10 FGCDMN CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000192910499 712877508 /nfs/dbraw/zinc/87/75/08/712877508.db2.gz DDOUYMMTVVUGOT-OAHLLOKOSA-N 0 1 371.319 3.306 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000781901759 724609792 /nfs/dbraw/zinc/60/97/92/724609792.db2.gz UXNUHGRICNNJBA-UHFFFAOYSA-N 0 1 350.256 3.458 20 10 FGCDMN COc1ccc(-n2c(C)cc(C(=O)Nc3nc(SC)n[nH]3)c2C)cc1 ZINC000729352921 722459101 /nfs/dbraw/zinc/45/91/01/722459101.db2.gz XEXTZDTYWNNJMM-UHFFFAOYSA-N 0 1 357.439 3.195 20 10 FGCDMN CCc1cccc(NC(=O)C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000732230384 722482853 /nfs/dbraw/zinc/48/28/53/722482853.db2.gz HMBFJUVDARCUFO-UHFFFAOYSA-N 0 1 363.255 3.445 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000740006407 722534692 /nfs/dbraw/zinc/53/46/92/722534692.db2.gz MIHOVHFOLYYTLN-APWZRJJASA-N 0 1 360.885 3.018 20 10 FGCDMN CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])CC1CC1 ZINC000750043477 722752794 /nfs/dbraw/zinc/75/27/94/722752794.db2.gz DGLNKLVNKFYHIU-UHFFFAOYSA-N 0 1 353.846 3.413 20 10 FGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000751509762 722811229 /nfs/dbraw/zinc/81/12/29/722811229.db2.gz NXBRQYUEXVHSRG-UHFFFAOYSA-N 0 1 352.906 3.418 20 10 FGCDMN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000756337574 722963009 /nfs/dbraw/zinc/96/30/09/722963009.db2.gz HJRJMAAIZJWBLP-AWEZNQCLSA-N 0 1 353.777 3.499 20 10 FGCDMN COc1ccc([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)[O-])cc1F ZINC000756363662 722963412 /nfs/dbraw/zinc/96/34/12/722963412.db2.gz NNQFESWDXWQZJS-OAHLLOKOSA-N 0 1 357.740 3.248 20 10 FGCDMN C[C@@H]([NH2+]CCc1nnc2ccccn21)c1cc(Br)ccc1[O-] ZINC000756364000 722963423 /nfs/dbraw/zinc/96/34/23/722963423.db2.gz RDQPLTDFNVQZIK-LLVKDONJSA-N 0 1 361.243 3.091 20 10 FGCDMN C[C@H]([NH2+]CCOc1ncccc1F)c1cc(Br)ccc1[O-] ZINC000756761102 722969730 /nfs/dbraw/zinc/96/97/30/722969730.db2.gz QANYZQIADIYXSK-JTQLQIEISA-N 0 1 355.207 3.418 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Br)ccc1[O-] ZINC000756788557 722970133 /nfs/dbraw/zinc/97/01/33/722970133.db2.gz WGLCVBARYANDRF-WCQYABFASA-N 0 1 356.260 3.491 20 10 FGCDMN O=C([N-][C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)C(F)F ZINC000761982547 723203682 /nfs/dbraw/zinc/20/36/82/723203682.db2.gz MYAQJSQTYQRESZ-NSHDSACASA-N 0 1 368.758 3.027 20 10 FGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000792180717 723318953 /nfs/dbraw/zinc/31/89/53/723318953.db2.gz SLUXFPSGTWJLNO-UHFFFAOYSA-N 0 1 353.800 3.431 20 10 FGCDMN CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000793700526 723462007 /nfs/dbraw/zinc/46/20/07/723462007.db2.gz SJPJUQDUCAPLIY-CYBMUJFWSA-N 0 1 359.447 3.158 20 10 FGCDMN CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000793700526 723462008 /nfs/dbraw/zinc/46/20/08/723462008.db2.gz SJPJUQDUCAPLIY-CYBMUJFWSA-N 0 1 359.447 3.158 20 10 FGCDMN CS(=O)(=O)C[C@@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000793700526 723462010 /nfs/dbraw/zinc/46/20/10/723462010.db2.gz SJPJUQDUCAPLIY-CYBMUJFWSA-N 0 1 359.447 3.158 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000795352950 723584426 /nfs/dbraw/zinc/58/44/26/723584426.db2.gz MFDWFKOCCAYHFV-UHFFFAOYSA-N 0 1 354.428 3.018 20 10 FGCDMN COc1ccc(CNCc2cc(OC)ccc2O)c(Br)c1 ZINC000796305944 723631843 /nfs/dbraw/zinc/63/18/43/723631843.db2.gz ASBJGUNGBPSMDK-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN CCCN(Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768182309 723649730 /nfs/dbraw/zinc/64/97/30/723649730.db2.gz YTLQIDQEBVKJLM-LJQANCHMSA-N 0 1 359.491 3.458 20 10 FGCDMN CCCCN(Cc1cc2c(cc1O)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000768443055 723657680 /nfs/dbraw/zinc/65/76/80/723657680.db2.gz YDIPCVFPQPNEFT-SFHVURJKSA-N 0 1 351.512 3.060 20 10 FGCDMN O=C(CC[C@H]1CCCO1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768911107 723671955 /nfs/dbraw/zinc/67/19/55/723671955.db2.gz CAFIDTZJKMFKMY-DLBZAZTESA-N 0 1 366.889 3.085 20 10 FGCDMN Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000768940138 723672730 /nfs/dbraw/zinc/67/27/30/723672730.db2.gz HLUOSBFZFHBFLB-LBPRGKRZSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000768940138 723672731 /nfs/dbraw/zinc/67/27/31/723672731.db2.gz HLUOSBFZFHBFLB-LBPRGKRZSA-N 0 1 350.260 3.268 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1[O-] ZINC000769424939 723685278 /nfs/dbraw/zinc/68/52/78/723685278.db2.gz APJDXQNKPINKRU-UHFFFAOYSA-N 0 1 363.757 3.420 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1[O-] ZINC000769424939 723685279 /nfs/dbraw/zinc/68/52/79/723685279.db2.gz APJDXQNKPINKRU-UHFFFAOYSA-N 0 1 363.757 3.420 20 10 FGCDMN CN1CCN(c2ccc(CNc3nnc(CC(F)(F)F)s3)cc2)CC1 ZINC000771756754 723741765 /nfs/dbraw/zinc/74/17/65/723741765.db2.gz KBYRSHNJGPQAGC-UHFFFAOYSA-N 0 1 371.432 3.007 20 10 FGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(F)CCCC1 ZINC000773408696 723784162 /nfs/dbraw/zinc/78/41/62/723784162.db2.gz URACGSHSYKDGEG-OAHLLOKOSA-N 0 1 354.853 3.409 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cc(Br)ccc1[O-] ZINC000775526925 723998223 /nfs/dbraw/zinc/99/82/23/723998223.db2.gz ODOBWNXWBVRITF-JSGCOSHPSA-N 0 1 355.276 3.205 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1cc(Br)ccc1[O-] ZINC000775526964 723998337 /nfs/dbraw/zinc/99/83/37/723998337.db2.gz UNJMUEKKKZWHTN-FPMFFAJLSA-N 0 1 355.276 3.110 20 10 FGCDMN CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775527555 723998400 /nfs/dbraw/zinc/99/84/00/723998400.db2.gz RAPYHCFKXSJXJT-LSDHHAIUSA-N 0 1 362.861 3.015 20 10 FGCDMN CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775551466 723999890 /nfs/dbraw/zinc/99/98/90/723999890.db2.gz NIOUJRHUMDGHBA-MRXNPFEDSA-N 0 1 374.934 3.148 20 10 FGCDMN C[C@@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000799335081 724013066 /nfs/dbraw/zinc/01/30/66/724013066.db2.gz NJDSMHPYUKVUQT-GFCCVEGCSA-N 0 1 354.376 3.116 20 10 FGCDMN O=C(NC1CCCCC1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775650005 724015840 /nfs/dbraw/zinc/01/58/40/724015840.db2.gz WNFGQOPRBDJDLB-UHFFFAOYSA-N 0 1 351.878 3.206 20 10 FGCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000775742357 724036433 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COc1cccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805134897 725052076 /nfs/dbraw/zinc/05/20/76/725052076.db2.gz BLZUFJJGJSBAGC-UHFFFAOYSA-N 0 1 362.234 3.186 20 10 FGCDMN O=C(NCc1nccn1C(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000805183998 725055124 /nfs/dbraw/zinc/05/51/24/725055124.db2.gz LYDKSNBLVNYNJQ-UHFFFAOYSA-N 0 1 365.167 3.290 20 10 FGCDMN CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000788618846 725076624 /nfs/dbraw/zinc/07/66/24/725076624.db2.gz KRGREAKFVQCICG-DZKIICNBSA-N 0 1 358.276 3.389 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000806179519 725119801 /nfs/dbraw/zinc/11/98/01/725119801.db2.gz SOHSGZYHZRUNDN-XJKSGUPXSA-N 0 1 365.271 3.367 20 10 FGCDMN CC(C)(C)n1cnc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000806409042 725127760 /nfs/dbraw/zinc/12/77/60/725127760.db2.gz IKBDPPLEBCMOLE-UHFFFAOYSA-N 0 1 358.229 3.367 20 10 FGCDMN CN(C)c1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807024238 725151368 /nfs/dbraw/zinc/15/13/68/725151368.db2.gz 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Cn1ccnc1[C@@H]1N(Cc2cccc(Br)c2O)CC1(C)C ZINC000824620283 729351310 /nfs/dbraw/zinc/35/13/10/729351310.db2.gz HTEWLUMHLQREQK-AWEZNQCLSA-N 0 1 350.260 3.471 20 10 FGCDMN C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C[C@@H]1n1ccnc1 ZINC000824928047 729365439 /nfs/dbraw/zinc/36/54/39/729365439.db2.gz TUZNZTWQMLHUMK-DOMZBBRYSA-N 0 1 350.260 3.434 20 10 FGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C[C@@H]1n1ccnc1 ZINC000824928047 729365440 /nfs/dbraw/zinc/36/54/40/729365440.db2.gz TUZNZTWQMLHUMK-DOMZBBRYSA-N 0 1 350.260 3.434 20 10 FGCDMN Oc1cc(Br)ccc1CNCc1nccn1CC(F)(F)F ZINC000825204712 729374429 /nfs/dbraw/zinc/37/44/29/729374429.db2.gz LVPVEDRHSINSOL-UHFFFAOYSA-N 0 1 364.165 3.203 20 10 FGCDMN CCN1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000825275291 729376600 /nfs/dbraw/zinc/37/66/00/729376600.db2.gz FRVYBZDFYZMTAS-UHFFFAOYSA-N 0 1 360.329 3.205 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000825358373 729380263 /nfs/dbraw/zinc/38/02/63/729380263.db2.gz QWAFVVDUKNECIS-CYBMUJFWSA-N 0 1 366.234 3.057 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000825412406 729382286 /nfs/dbraw/zinc/38/22/86/729382286.db2.gz JLAGEYBLDDRNNQ-QGZVFWFLSA-N 0 1 366.230 3.387 20 10 FGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000825412406 729382288 /nfs/dbraw/zinc/38/22/88/729382288.db2.gz JLAGEYBLDDRNNQ-QGZVFWFLSA-N 0 1 366.230 3.387 20 10 FGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000825685651 729391483 /nfs/dbraw/zinc/39/14/83/729391483.db2.gz ICULYXFJKBJHEA-KRWDZBQOSA-N 0 1 362.832 3.384 20 10 FGCDMN Cn1nc2c(c1C[NH2+]Cc1ccc(Br)cc1[O-])CCCC2 ZINC000825955102 729400857 /nfs/dbraw/zinc/40/08/57/729400857.db2.gz GCTJCSBDOZMRFF-UHFFFAOYSA-N 0 1 350.260 3.057 20 10 FGCDMN C[C@@H]1C[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000834836106 729838051 /nfs/dbraw/zinc/83/80/51/729838051.db2.gz LJRFVLJYELZVHE-LPXQKFACSA-N 0 1 355.475 3.273 20 10 FGCDMN CC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(Br)ccc1[O-] ZINC000834851023 729838900 /nfs/dbraw/zinc/83/89/00/729838900.db2.gz SEAIHIOGVNDTFV-HOCLYGCPSA-N 0 1 371.319 3.042 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(Cl)ccc1[O-] ZINC000834910481 729845732 /nfs/dbraw/zinc/84/57/32/729845732.db2.gz HVRSAFINRLKFGM-JSGCOSHPSA-N 0 1 370.877 3.332 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(Cl)ccc1[O-] ZINC000834910480 729845896 /nfs/dbraw/zinc/84/58/96/729845896.db2.gz HVRSAFINRLKFGM-GXTWGEPZSA-N 0 1 370.877 3.332 20 10 FGCDMN C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000840877086 730186913 /nfs/dbraw/zinc/18/69/13/730186913.db2.gz SPLLIVUTBYWYIK-SNVBAGLBSA-N 0 1 364.305 3.019 20 10 FGCDMN C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)ccc1[O-] ZINC000840886987 730188367 /nfs/dbraw/zinc/18/83/67/730188367.db2.gz QFTJQZVAPSMQCX-DYLAAIIWSA-N 0 1 350.203 3.354 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Br)cc1[O-] ZINC000840886674 730188491 /nfs/dbraw/zinc/18/84/91/730188491.db2.gz LPRHMPFCVDNBKE-KDDOJWQBSA-N 0 1 350.203 3.354 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c(Cl)c1 ZINC000840937810 730194134 /nfs/dbraw/zinc/19/41/34/730194134.db2.gz YEYADEBPZVYDLJ-UHFFFAOYSA-N 0 1 359.857 3.143 20 10 FGCDMN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000840974873 730199861 /nfs/dbraw/zinc/19/98/61/730199861.db2.gz PIVCGXFHOFJTKT-OAHLLOKOSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000840974873 730199863 /nfs/dbraw/zinc/19/98/63/730199863.db2.gz PIVCGXFHOFJTKT-OAHLLOKOSA-N 0 1 367.287 3.132 20 10 FGCDMN COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841743158 730269941 /nfs/dbraw/zinc/26/99/41/730269941.db2.gz DJKDBCUVKXFOSQ-GTNSWQLSSA-N 0 1 351.830 3.447 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1[O-] ZINC000841757654 730271285 /nfs/dbraw/zinc/27/12/85/730271285.db2.gz OGXFGKJRAOECGV-OCCSQVGLSA-N 0 1 370.877 3.332 20 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FFHUCNARBAGETD-UHFFFAOYSA-N 0 1 352.774 3.261 20 10 FGCDMN COC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846110034 730929672 /nfs/dbraw/zinc/92/96/72/730929672.db2.gz WJRIINLKDOOSSG-KANYHAFZSA-N 0 1 359.825 3.021 20 10 FGCDMN CCn1ccnc1CN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848554654 731181061 /nfs/dbraw/zinc/18/10/61/731181061.db2.gz YSYCHOZUUYTNIU-JTQLQIEISA-N 0 1 354.248 3.231 20 10 FGCDMN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000850501805 731365629 /nfs/dbraw/zinc/36/56/29/731365629.db2.gz POEGAZANGXGQKZ-CAVOSLQRSA-N 0 1 372.303 3.371 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850559036 731373061 /nfs/dbraw/zinc/37/30/61/731373061.db2.gz WDXZEUXEZOWQSV-RYUDHWBXSA-N 0 1 369.303 3.452 20 10 FGCDMN CCN(C)c1ccc(CN2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)cc1 ZINC000852338099 731572460 /nfs/dbraw/zinc/57/24/60/731572460.db2.gz LEJGUEJKLVJNIN-CABCVRRESA-N 0 1 358.404 3.316 20 10 FGCDMN 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ZINC000894476503 742288300 /nfs/dbraw/zinc/28/83/00/742288300.db2.gz APJVBSYFTHATEK-UHFFFAOYSA-N 0 1 374.250 3.065 20 10 FGCDMN CCOc1ccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c(O)c1 ZINC000896967971 742623558 /nfs/dbraw/zinc/62/35/58/742623558.db2.gz ARUOBAADOAWNMM-CYBMUJFWSA-N 0 1 362.451 3.024 20 10 FGCDMN COc1ccc(N2CCC(NCc3nncn3-c3ccccc3)CC2)cc1 ZINC000152663198 496218170 /nfs/dbraw/zinc/21/81/70/496218170.db2.gz CEEFMPQHNYQBFE-UHFFFAOYSA-N 0 1 363.465 3.035 20 10 FGCDMN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Br)ccc1[O-] ZINC000185061673 496642062 /nfs/dbraw/zinc/64/20/62/496642062.db2.gz VZXGRXSBNCAZMZ-GFCCVEGCSA-N 0 1 355.276 3.208 20 10 FGCDMN CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000273603175 496852044 /nfs/dbraw/zinc/85/20/44/496852044.db2.gz SMHXSRPKTCCHHU-FNBIGBAISA-N 0 1 355.276 3.253 20 10 FGCDMN C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(Br)ccc1[O-] ZINC000274422375 497095192 /nfs/dbraw/zinc/09/51/92/497095192.db2.gz UHVGUXTVGOGBTG-JTQLQIEISA-N 0 1 368.300 3.350 20 10 FGCDMN COc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)ccc1[N+](=O)[O-] ZINC000274759615 497158820 /nfs/dbraw/zinc/15/88/20/497158820.db2.gz GOQXLCDLDZVRRK-UHFFFAOYSA-N 0 1 366.395 3.035 20 10 FGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000265842344 497192190 /nfs/dbraw/zinc/19/21/90/497192190.db2.gz GNVTUJMNGWQDJE-UHFFFAOYSA-N 0 1 350.821 3.311 20 10 FGCDMN Cc1nnc(SCCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000266788081 497419807 /nfs/dbraw/zinc/41/98/07/497419807.db2.gz BVABZFYVJCLKRG-UHFFFAOYSA-N 0 1 361.515 3.099 20 10 FGCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000279570022 497474981 /nfs/dbraw/zinc/47/49/81/497474981.db2.gz SSIRACLFZMUJTI-OLZOCXBDSA-N 0 1 353.426 3.301 20 10 FGCDMN COc1ccc(O)c(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280288377 497709499 /nfs/dbraw/zinc/70/94/99/497709499.db2.gz NYBULJDUAUUELM-AWEZNQCLSA-N 0 1 357.328 3.123 20 10 FGCDMN Oc1cc2c(cc1CNCc1nn(-c3ccccc3)c3c1CCC3)OCO2 ZINC000263720225 497810666 /nfs/dbraw/zinc/81/06/66/497810666.db2.gz VZXVPZOLSYSLPX-UHFFFAOYSA-N 0 1 363.417 3.085 20 10 FGCDMN C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(Br)cc1[O-] ZINC000289652570 498232985 /nfs/dbraw/zinc/23/29/85/498232985.db2.gz GICMNLIPDUGPRT-LLVKDONJSA-N 0 1 350.260 3.467 20 10 FGCDMN CCc1ncnc(NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1F ZINC000301952968 498343005 /nfs/dbraw/zinc/34/30/05/498343005.db2.gz CNYVTMKIPWBTDA-UHFFFAOYSA-N 0 1 361.440 3.071 20 10 FGCDMN CCCN(Cc1ccccc1O)C(=O)C1CCN(Cc2cccnc2)CC1 ZINC000365526326 498512775 /nfs/dbraw/zinc/51/27/75/498512775.db2.gz TXOVKKBSRILTDY-UHFFFAOYSA-N 0 1 367.493 3.438 20 10 FGCDMN CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290390876 498534861 /nfs/dbraw/zinc/53/48/61/498534861.db2.gz SHBGIKMALIRRQV-OAHLLOKOSA-N 0 1 356.507 3.290 20 10 FGCDMN CCN(CC)c1ccc(CN[C@H](c2nnc[nH]2)c2cccnc2)cc1F ZINC000283834997 498995653 /nfs/dbraw/zinc/99/56/53/498995653.db2.gz ATCRLSVHWGNXTP-SFHVURJKSA-N 0 1 354.433 3.064 20 10 FGCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000284353801 499094051 /nfs/dbraw/zinc/09/40/51/499094051.db2.gz MMTVUBQIWWCJJO-UHFFFAOYSA-N 0 1 354.498 3.243 20 10 FGCDMN C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000367085842 499146831 /nfs/dbraw/zinc/14/68/31/499146831.db2.gz RNIDMSQSHCSWDX-LRDDRELGSA-N 0 1 360.841 3.336 20 10 FGCDMN Cc1ccc(O)c([C@@H](C)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 ZINC000369900934 499148483 /nfs/dbraw/zinc/14/84/83/499148483.db2.gz DFPNBIOHPBTUNJ-NEPJUHHUSA-N 0 1 354.376 3.268 20 10 FGCDMN CCOc1cccc(C[N@H+]2CCC[C@H](c3ccnc(COC)n3)C2)c1O ZINC000367418267 499196609 /nfs/dbraw/zinc/19/66/09/499196609.db2.gz GSJUQYXRAVTQKT-HNNXBMFYSA-N 0 1 357.454 3.107 20 10 FGCDMN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc2ccccc2c1[O-] ZINC000371835112 499370280 /nfs/dbraw/zinc/37/02/80/499370280.db2.gz QEUBSMXXABUXNN-VGSWGCGISA-N 0 1 370.493 3.077 20 10 FGCDMN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000376212580 499591520 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O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H]2CN2CCCC2)c1O ZINC000740096636 600426340 /nfs/dbraw/zinc/42/63/40/600426340.db2.gz KPNKRUNIZIQGAI-INIZCTEOSA-N 0 1 354.450 3.304 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(CN2CCC[C@H]2C[NH+]2CCCC2)c1O ZINC000740096636 600426343 /nfs/dbraw/zinc/42/63/43/600426343.db2.gz KPNKRUNIZIQGAI-INIZCTEOSA-N 0 1 354.450 3.304 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC000740096640 600426481 /nfs/dbraw/zinc/42/64/81/600426481.db2.gz KPNKRUNIZIQGAI-MRXNPFEDSA-N 0 1 354.450 3.304 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC000740096640 600426483 /nfs/dbraw/zinc/42/64/83/600426483.db2.gz KPNKRUNIZIQGAI-MRXNPFEDSA-N 0 1 354.450 3.304 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1O ZINC000823628935 604245805 /nfs/dbraw/zinc/24/58/05/604245805.db2.gz ZSAPUYKJTDIYMQ-CMPLNLGQSA-N 0 1 354.834 3.116 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1O ZINC000823628935 604245807 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CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824296851 608385282 /nfs/dbraw/zinc/38/52/82/608385282.db2.gz LAUXNPACYHAUOV-UHFFFAOYSA-N 0 1 368.460 3.482 20 10 FGCDMN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824296851 608385284 /nfs/dbraw/zinc/38/52/84/608385284.db2.gz LAUXNPACYHAUOV-UHFFFAOYSA-N 0 1 368.460 3.482 20 10 FGCDMN Cc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1N1CCCC1 ZINC000019100043 695639716 /nfs/dbraw/zinc/63/97/16/695639716.db2.gz SMCKNYCMNJPEKM-UHFFFAOYSA-N 0 1 374.491 3.401 20 10 FGCDMN CCN(CC(=O)N[C@H](C)C(C)C)Cc1cc(Br)ccc1O ZINC000076118464 700224621 /nfs/dbraw/zinc/22/46/21/700224621.db2.gz WLSGFOWERJHNKJ-GFCCVEGCSA-N 0 1 357.292 3.137 20 10 FGCDMN Cc1ccccc1CN1CCCN(C(=O)CSc2nccs2)CC1 ZINC000077630027 700257856 /nfs/dbraw/zinc/25/78/56/700257856.db2.gz XKDPUXHIYVZXSX-UHFFFAOYSA-N 0 1 361.536 3.278 20 10 FGCDMN Cc1ccc(CN2CCCN(C(=O)CSc3nccs3)CC2)cc1 ZINC000079446452 700299630 /nfs/dbraw/zinc/29/96/30/700299630.db2.gz RFHOGLMOEBXHMG-UHFFFAOYSA-N 0 1 361.536 3.278 20 10 FGCDMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092706337 700440048 /nfs/dbraw/zinc/44/00/48/700440048.db2.gz UMCAHZSLIJELAY-ZDUSSCGKSA-N 0 1 369.303 3.139 20 10 FGCDMN COC(=O)CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000093460715 700451501 /nfs/dbraw/zinc/45/15/01/700451501.db2.gz KHIFTBWEKYRCTA-ZDUSSCGKSA-N 0 1 362.253 3.243 20 10 FGCDMN CCN1CCN(c2ccc(CNC(=O)c3sccc3C)cc2F)CC1 ZINC000106702541 700509619 /nfs/dbraw/zinc/50/96/19/700509619.db2.gz GNKZVKBIQLFQRD-UHFFFAOYSA-N 0 1 361.486 3.268 20 10 FGCDMN Oc1ccc(Br)cc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123651076 700708039 /nfs/dbraw/zinc/70/80/39/700708039.db2.gz MAEBLNFXDZFGFK-PWSUYJOCSA-N 0 1 354.166 3.042 20 10 FGCDMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000148650093 704896669 /nfs/dbraw/zinc/89/66/69/704896669.db2.gz MEWFTHSTCMPAKT-UHFFFAOYSA-N 0 1 372.240 3.273 20 10 FGCDMN Oc1ccccc1CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000179568395 705706089 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ZINC000733900854 722502078 /nfs/dbraw/zinc/50/20/78/722502078.db2.gz MPRSJDJEGYWFPO-UHFFFAOYSA-N 0 1 369.202 3.295 20 10 FGCDMN CC[NH+](CC)CCn1c(NC(=O)c2cc([O-])cs2)nc2ccccc21 ZINC000731866009 722478703 /nfs/dbraw/zinc/47/87/03/722478703.db2.gz DIYUOMUAAWKXKN-UHFFFAOYSA-N 0 1 358.467 3.398 20 10 FGCDMN Cc1cc(CC(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000748375417 722686421 /nfs/dbraw/zinc/68/64/21/722686421.db2.gz JLEHHWYYRXCNSD-LBPRGKRZSA-N 0 1 357.845 3.286 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000750046475 722752893 /nfs/dbraw/zinc/75/28/93/722752893.db2.gz ALNSGQUTHBMNBJ-AWEZNQCLSA-N 0 1 364.873 3.083 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000750046475 722752894 /nfs/dbraw/zinc/75/28/94/722752894.db2.gz ALNSGQUTHBMNBJ-AWEZNQCLSA-N 0 1 364.873 3.083 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756403285 722964083 /nfs/dbraw/zinc/96/40/83/722964083.db2.gz 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ZINC000793366096 723430871 /nfs/dbraw/zinc/43/08/71/723430871.db2.gz QKSSDBWQFZRLGA-FQEVSTJZSA-N 0 1 350.478 3.442 20 10 FGCDMN COc1ccc(CNCc2ccc(OC)c(O)c2Br)c(O)c1 ZINC000793386554 723432799 /nfs/dbraw/zinc/43/27/99/723432799.db2.gz WMBYUBBYOZUDAK-UHFFFAOYSA-N 0 1 368.227 3.167 20 10 FGCDMN CC[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000793565152 723449191 /nfs/dbraw/zinc/44/91/91/723449191.db2.gz BZWNORPDEGPGQW-INWMFGNUSA-N 0 1 374.319 3.353 20 10 FGCDMN C[C@@H](C(=O)NCc1cccc(Br)c1[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000765733200 723536193 /nfs/dbraw/zinc/53/61/93/723536193.db2.gz VGICGQTXXABITI-TUAOUCFPSA-N 0 1 355.276 3.032 20 10 FGCDMN C[C@@H](C(=O)NCc1cccc(Br)c1[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000765733200 723536197 /nfs/dbraw/zinc/53/61/97/723536197.db2.gz VGICGQTXXABITI-TUAOUCFPSA-N 0 1 355.276 3.032 20 10 FGCDMN O=C(NCc1cccc(Br)c1[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000765747125 723537649 /nfs/dbraw/zinc/53/76/49/723537649.db2.gz MFBKODPQILUTNC-OAHLLOKOSA-N 0 1 367.287 3.178 20 10 FGCDMN O=C(NCc1cccc(Br)c1[O-])[C@H]1CCC[N@H+]1C1CCCC1 ZINC000765747125 723537652 /nfs/dbraw/zinc/53/76/52/723537652.db2.gz MFBKODPQILUTNC-OAHLLOKOSA-N 0 1 367.287 3.178 20 10 FGCDMN COc1cc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766668327 723585846 /nfs/dbraw/zinc/58/58/46/723585846.db2.gz LGHJCZCMLIQGJJ-MRXNPFEDSA-N 0 1 369.527 3.097 20 10 FGCDMN Cc1cc(CN2CCCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766671302 723585908 /nfs/dbraw/zinc/58/59/08/723585908.db2.gz SQIKFNOFUBEBQH-INIZCTEOSA-N 0 1 353.528 3.397 20 10 FGCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]2C1 ZINC000796029783 723618071 /nfs/dbraw/zinc/61/80/71/723618071.db2.gz QPAQBGAKNFXHJV-BETUJISGSA-N 0 1 370.852 3.483 20 10 FGCDMN CN(C)c1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1F ZINC000767426931 723618845 /nfs/dbraw/zinc/61/88/45/723618845.db2.gz WCVGUPDJLFFVPH-INIZCTEOSA-N 0 1 367.262 3.477 20 10 FGCDMN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000768940440 723672736 /nfs/dbraw/zinc/67/27/36/723672736.db2.gz JRBXPTNQTYRERV-GFCCVEGCSA-N 0 1 350.260 3.268 20 10 FGCDMN C[C@@H](N[C@H](CO)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769990616 723702558 /nfs/dbraw/zinc/70/25/58/723702558.db2.gz VKGBJXLVWIGBCQ-CXAGYDPISA-N 0 1 350.459 3.108 20 10 FGCDMN O=C(CCn1cccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771069224 723727210 /nfs/dbraw/zinc/72/72/10/723727210.db2.gz XRMXXQVYUDGUCX-KRWDZBQOSA-N 0 1 361.873 3.018 20 10 FGCDMN C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000773625055 723806860 /nfs/dbraw/zinc/80/68/60/723806860.db2.gz PBPVHJMJQQHVRW-YOEHRIQHSA-N 0 1 360.527 3.477 20 10 FGCDMN COc1c([O-])c(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775106443 723961431 /nfs/dbraw/zinc/96/14/31/723961431.db2.gz HGAAEHCNUVVMSW-UHFFFAOYSA-N 0 1 350.415 3.233 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775106443 723961432 /nfs/dbraw/zinc/96/14/32/723961432.db2.gz HGAAEHCNUVVMSW-UHFFFAOYSA-N 0 1 350.415 3.233 20 10 FGCDMN CCC[C@@]1(C(=O)OCC)CCCN1Cc1cc(OC)c(OC)cc1O ZINC000775185754 723969240 /nfs/dbraw/zinc/96/92/40/723969240.db2.gz VSVZRDLUKPLZPT-IBGZPJMESA-N 0 1 351.443 3.107 20 10 FGCDMN COc1ccc(OC)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000775292002 723977305 /nfs/dbraw/zinc/97/73/05/723977305.db2.gz TZEOIZAQKGCMMZ-UHFFFAOYSA-N 0 1 351.424 3.135 20 10 FGCDMN CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000775503447 723996914 /nfs/dbraw/zinc/99/69/14/723996914.db2.gz ISDVGEJCQVAYIS-SWLSCSKDSA-N 0 1 358.276 3.249 20 10 FGCDMN CC[C@H]([NH2+]CCNc1cnccn1)c1cc(Br)ccc1[O-] ZINC000775513923 723997551 /nfs/dbraw/zinc/99/75/51/723997551.db2.gz OORPKYNAKZMFNR-ZDUSSCGKSA-N 0 1 351.248 3.098 20 10 FGCDMN Cc1cc(C(=O)N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)c(C)o1 ZINC000775658044 724017778 /nfs/dbraw/zinc/01/77/78/724017778.db2.gz LNZXUBFZONSFEV-UHFFFAOYSA-N 0 1 366.820 3.353 20 10 FGCDMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(Br)cc(C)c1O ZINC000775664729 724019268 /nfs/dbraw/zinc/01/92/68/724019268.db2.gz UVBWZECXVHJPFK-HNNXBMFYSA-N 0 1 369.303 3.296 20 10 FGCDMN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000775667062 724019999 /nfs/dbraw/zinc/01/99/99/724019999.db2.gz DSMPELCLVJIPLN-UHFFFAOYSA-N 0 1 356.869 3.119 20 10 FGCDMN C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000800503829 724204170 /nfs/dbraw/zinc/20/41/70/724204170.db2.gz GIUYWQGZADXRAP-CQSZACIVSA-N 0 1 367.898 3.354 20 10 FGCDMN CCN(CC)c1ccc(CNCc2cc(Br)nn2C)cc1F ZINC000785460332 724914183 /nfs/dbraw/zinc/91/41/83/724914183.db2.gz YFHLWNXGPBDPDX-UHFFFAOYSA-N 0 1 369.282 3.458 20 10 FGCDMN CCN(Cc1cc(Br)nn1C)Cc1ccc(N(C)C)cc1 ZINC000787051073 725015020 /nfs/dbraw/zinc/01/50/20/725015020.db2.gz HLSLTWHQVBMQHI-UHFFFAOYSA-N 0 1 351.292 3.271 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000805071480 725047942 /nfs/dbraw/zinc/04/79/42/725047942.db2.gz VENYCXZPRXRYCY-UONOGXRCSA-N 0 1 358.269 3.125 20 10 FGCDMN CC(=O)c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805135479 725052327 /nfs/dbraw/zinc/05/23/27/725052327.db2.gz UHUZIROQGYOJLU-UHFFFAOYSA-N 0 1 374.245 3.380 20 10 FGCDMN CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806599232 725136570 /nfs/dbraw/zinc/13/65/70/725136570.db2.gz QQKUNVXDCSZXGY-LBPRGKRZSA-N 0 1 362.326 3.147 20 10 FGCDMN O=C(CCNC(=O)c1ccsc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807835943 725171411 /nfs/dbraw/zinc/17/14/11/725171411.db2.gz NKHIGQKMUHMOQK-UHFFFAOYSA-N 0 1 373.261 3.197 20 10 FGCDMN C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836979 725171653 /nfs/dbraw/zinc/17/16/53/725171653.db2.gz WKCDNAKJJMIKSP-MFKMUULPSA-N 0 1 362.253 3.289 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Cn2cccn2)o1 ZINC000807837803 725171860 /nfs/dbraw/zinc/17/18/60/725171860.db2.gz DHWDXVXUEDPKIP-UHFFFAOYSA-N 0 1 366.204 3.467 20 10 FGCDMN O=C(Cc1ccc2c[nH]nc2c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839566 725172074 /nfs/dbraw/zinc/17/20/74/725172074.db2.gz HOPPWIQEKHEVQZ-UHFFFAOYSA-N 0 1 350.205 3.434 20 10 FGCDMN COC(=O)Cc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807840001 725172272 /nfs/dbraw/zinc/17/22/72/725172272.db2.gz PCAHYBFSAKDENQ-UHFFFAOYSA-N 0 1 368.216 3.345 20 10 FGCDMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639629 725255023 /nfs/dbraw/zinc/25/50/23/725255023.db2.gz MOGNNCPAKBKYID-CRICUBBOSA-N 0 1 356.535 3.448 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000809713357 725261672 /nfs/dbraw/zinc/26/16/72/725261672.db2.gz NFQDGTRVBQJVQG-PWSUYJOCSA-N 0 1 354.166 3.354 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000809757612 725265706 /nfs/dbraw/zinc/26/57/06/725265706.db2.gz QBKRDKJIWDZWAU-UHFFFAOYSA-N 0 1 363.246 3.236 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000810165567 725294056 /nfs/dbraw/zinc/29/40/56/725294056.db2.gz WMTUCHXHZZJSJK-AEFFLSMTSA-N 0 1 362.267 3.411 20 10 FGCDMN COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c(OC)n1 ZINC000810260179 725300491 /nfs/dbraw/zinc/30/04/91/725300491.db2.gz GRNXEDHPPRDGAC-JTQLQIEISA-N 0 1 367.243 3.418 20 10 FGCDMN COC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000812536056 725399702 /nfs/dbraw/zinc/39/97/02/725399702.db2.gz OXUAPZAJLGNUPS-VBQJREDUSA-N 0 1 368.905 3.045 20 10 FGCDMN CCc1noc(C)c1CNCc1cc(Br)cc(OC)c1O ZINC000815146536 727045500 /nfs/dbraw/zinc/04/55/00/727045500.db2.gz REOANQXRKHFECW-UHFFFAOYSA-N 0 1 355.232 3.312 20 10 FGCDMN CCOCCCN1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816549015 727174013 /nfs/dbraw/zinc/17/40/13/727174013.db2.gz AGMYOWGENFFYLI-GUYCJALGSA-N 0 1 358.885 3.411 20 10 FGCDMN Cc1cc(Cl)cc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000816641834 727184142 /nfs/dbraw/zinc/18/41/42/727184142.db2.gz HOAMEZTYNIXFAC-GOSISDBHSA-N 0 1 358.869 3.287 20 10 FGCDMN COC1([C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CCOCC1 ZINC000817588146 727268669 /nfs/dbraw/zinc/26/86/69/727268669.db2.gz MBUHPJRULJYXFR-RYUDHWBXSA-N 0 1 358.276 3.389 20 10 FGCDMN COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCOCC1 ZINC000817589584 727268808 /nfs/dbraw/zinc/26/88/08/727268808.db2.gz ZCFKFHIYLRYESM-NWDGAFQWSA-N 0 1 358.276 3.389 20 10 FGCDMN CCN(Cc1cnc2n1CCC2)Cc1cc(Br)ccc1O ZINC000824913351 729364777 /nfs/dbraw/zinc/36/47/77/729364777.db2.gz PPWVNYBUUWQAMY-UHFFFAOYSA-N 0 1 350.260 3.320 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1Cl ZINC000825120112 729371630 /nfs/dbraw/zinc/37/16/30/729371630.db2.gz HVXWLNGGNFRQES-UHFFFAOYSA-N 0 1 354.859 3.015 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000825124942 729372119 /nfs/dbraw/zinc/37/21/19/729372119.db2.gz BAZIMSYHYHAFGH-JTQLQIEISA-N 0 1 367.209 3.129 20 10 FGCDMN C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825277737 729376811 /nfs/dbraw/zinc/37/68/11/729376811.db2.gz FKOCBMOSKOXEAY-BLLLJJGKSA-N 0 1 350.256 3.409 20 10 FGCDMN COc1cc(CC[NH2+]Cc2ccc(Br)cc2[O-])ccc1O ZINC000825291958 729377345 /nfs/dbraw/zinc/37/73/45/729377345.db2.gz RHMZLBZQEXWSTG-UHFFFAOYSA-N 0 1 352.228 3.201 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCOCC1CCOCC1 ZINC000825303919 729377837 /nfs/dbraw/zinc/37/78/37/729377837.db2.gz NJHMPCCHJGNKAQ-UHFFFAOYSA-N 0 1 358.276 3.078 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000825353616 729380142 /nfs/dbraw/zinc/38/01/42/729380142.db2.gz OIJDDLFBBFLVDT-HIFRSBDPSA-N 0 1 358.301 3.299 20 10 FGCDMN C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000840877085 730186939 /nfs/dbraw/zinc/18/69/39/730186939.db2.gz SPLLIVUTBYWYIK-JTQLQIEISA-N 0 1 364.305 3.019 20 10 FGCDMN CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000840889650 730188638 /nfs/dbraw/zinc/18/86/38/730188638.db2.gz TZRDCZFNGMRFHE-ZDUSSCGKSA-N 0 1 353.406 3.277 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(Cl)c1 ZINC000840908787 730189986 /nfs/dbraw/zinc/18/99/86/730189986.db2.gz ZVYWRESWBWGUDV-INIZCTEOSA-N 0 1 358.869 3.492 20 10 FGCDMN COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000840975777 730200065 /nfs/dbraw/zinc/20/00/65/730200065.db2.gz ACAOGUHELWULKJ-JTQLQIEISA-N 0 1 350.267 3.037 20 10 FGCDMN CNC(=O)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Cc1ccc(F)cc1C ZINC000842722637 730535665 /nfs/dbraw/zinc/53/56/65/730535665.db2.gz QYYPEFSNJNERND-CQSZACIVSA-N 0 1 364.848 3.188 20 10 FGCDMN Cn1nccc1[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)OC(C)(C)C ZINC000842774306 730541756 /nfs/dbraw/zinc/54/17/56/730541756.db2.gz FSBPXHZGOZJIDI-OAHLLOKOSA-N 0 1 369.824 3.091 20 10 FGCDMN CCC[N@H+](Cc1cc(Br)cc(OC)c1[O-])[C@@H]1CCN(C)C1 ZINC000843422686 730619478 /nfs/dbraw/zinc/61/94/78/730619478.db2.gz QBWXLGDLDSTGIB-CQSZACIVSA-N 0 1 357.292 3.079 20 10 FGCDMN CCC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])[C@@H]1CCN(C)C1 ZINC000843422686 730619480 /nfs/dbraw/zinc/61/94/80/730619480.db2.gz QBWXLGDLDSTGIB-CQSZACIVSA-N 0 1 357.292 3.079 20 10 FGCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843433337 730620551 /nfs/dbraw/zinc/62/05/51/730620551.db2.gz XSMIYQCGFFOREF-KRWDZBQOSA-N 0 1 352.356 3.046 20 10 FGCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843433337 730620556 /nfs/dbraw/zinc/62/05/56/730620556.db2.gz XSMIYQCGFFOREF-KRWDZBQOSA-N 0 1 352.356 3.046 20 10 FGCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000843432753 730620859 /nfs/dbraw/zinc/62/08/59/730620859.db2.gz PCNBWNABXNAAHM-ZDUSSCGKSA-N 0 1 371.186 3.199 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000846010809 730918307 /nfs/dbraw/zinc/91/83/07/730918307.db2.gz JBAZGXOHFCOWSI-GOSISDBHSA-N 0 1 362.267 3.121 20 10 FGCDMN CCN(Cc1ccccc1)c1ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000846100962 730928824 /nfs/dbraw/zinc/92/88/24/730928824.db2.gz WLJUYYYOWXBWMO-WATLYSKOSA-N 0 1 354.519 3.418 20 10 FGCDMN NC(=O)CC1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCCC1 ZINC000850414399 731354103 /nfs/dbraw/zinc/35/41/03/731354103.db2.gz ZRKMTCUILJPQAE-UHFFFAOYSA-N 0 1 355.276 3.070 20 10 FGCDMN C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000850498150 731365026 /nfs/dbraw/zinc/36/50/26/731365026.db2.gz XWRZYWSFYCNXGK-SQFXPLBJSA-N 0 1 374.222 3.116 20 10 FGCDMN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000850501807 731365723 /nfs/dbraw/zinc/36/57/23/731365723.db2.gz POEGAZANGXGQKZ-FIRUKDTASA-N 0 1 372.303 3.371 20 10 FGCDMN COc1cc(Br)cc([C@H](C)N[C@@H](C)c2nccn2C)c1O ZINC000850572317 731374619 /nfs/dbraw/zinc/37/46/19/731374619.db2.gz JYQMFUBFRAQNHV-UWVGGRQHSA-N 0 1 354.248 3.309 20 10 FGCDMN OC1CCN(c2ccc(CN[C@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000857914405 732168951 /nfs/dbraw/zinc/16/89/51/732168951.db2.gz KIGOJEIGQCORLQ-SFHVURJKSA-N 0 1 357.885 3.473 20 10 FGCDMN COc1ccccc1OCC[NH2+]Cc1c([O-])cccc1Br ZINC000858087115 732178739 /nfs/dbraw/zinc/17/87/39/732178739.db2.gz JZPRIIWPKDUPGX-UHFFFAOYSA-N 0 1 352.228 3.332 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]CCCOCC1CCOCC1 ZINC000858142495 732185298 /nfs/dbraw/zinc/18/52/98/732185298.db2.gz CIFBUUNMNQJXOL-UHFFFAOYSA-N 0 1 358.276 3.078 20 10 FGCDMN CC(C)(CO)[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1cccnc1 ZINC000862379765 732820001 /nfs/dbraw/zinc/82/00/01/732820001.db2.gz OGWBDTUGQJLCBN-INIZCTEOSA-N 0 1 365.271 3.399 20 10 FGCDMN CC(C)(CO)[C@@H](NCc1c(O)cccc1Br)c1cccnc1 ZINC000862379765 732820006 /nfs/dbraw/zinc/82/00/06/732820006.db2.gz OGWBDTUGQJLCBN-INIZCTEOSA-N 0 1 365.271 3.399 20 10 FGCDMN CN(C)c1cc(F)c(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000862382945 732820735 /nfs/dbraw/zinc/82/07/35/732820735.db2.gz FBIYHMIZGZYAKA-CYBMUJFWSA-N 0 1 353.457 3.144 20 10 FGCDMN COc1ccc(N2CC[C@@H](NCc3cccnc3Br)C2)cc1 ZINC000865622100 733240154 /nfs/dbraw/zinc/24/01/54/733240154.db2.gz LQGZKPCIXSEWNL-CQSZACIVSA-N 0 1 362.271 3.221 20 10 FGCDMN CCN(CC)c1ccc(CNC[C@H](n2cncn2)C(F)(F)F)cc1F ZINC000865681888 733251228 /nfs/dbraw/zinc/25/12/28/733251228.db2.gz BGNUQRJSGMZRGH-HNNXBMFYSA-N 0 1 359.371 3.157 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1[O-] ZINC000866530415 733361471 /nfs/dbraw/zinc/36/14/71/733361471.db2.gz ASYSFBZNSOMZKD-GXTWGEPZSA-N 0 1 370.287 3.391 20 10 FGCDMN C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(Br)c(F)cc1O ZINC000886801112 739303146 /nfs/dbraw/zinc/30/31/46/739303146.db2.gz ICESWBMQCUGBCQ-KGFZYKRKSA-N 0 1 360.145 3.258 20 10 FGCDMN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876563211 736114093 /nfs/dbraw/zinc/11/40/93/736114093.db2.gz ZQANYMMEEYLUOF-LLVKDONJSA-N 0 1 355.406 3.267 20 10 FGCDMN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876563211 736114098 /nfs/dbraw/zinc/11/40/98/736114098.db2.gz ZQANYMMEEYLUOF-LLVKDONJSA-N 0 1 355.406 3.267 20 10 FGCDMN CCN1CCN(c2ccc(CNCc3nc(Cl)cs3)cc2F)CC1 ZINC000877011452 736175181 /nfs/dbraw/zinc/17/51/81/736175181.db2.gz CHXBWLQEQAFFHR-UHFFFAOYSA-N 0 1 368.909 3.367 20 10 FGCDMN CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])Cc3cccnc3N2C1 ZINC000877688227 736705178 /nfs/dbraw/zinc/70/51/78/736705178.db2.gz RPMIIGCELVUKCV-HZPDHXFCSA-N 0 1 359.857 3.050 20 10 FGCDMN CSc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000882917859 737503950 /nfs/dbraw/zinc/50/39/50/737503950.db2.gz WRFZTTACFWFUFF-UHFFFAOYSA-N 0 1 350.459 3.392 20 10 FGCDMN CC[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000886670581 739281049 /nfs/dbraw/zinc/28/10/49/739281049.db2.gz ROSQHKHCXQUTCE-IPYPFGDCSA-N 0 1 358.276 3.125 20 10 FGCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000893993786 742224010 /nfs/dbraw/zinc/22/40/10/742224010.db2.gz HBOGJPWBJOUSBX-ZDUSSCGKSA-N 0 1 354.223 3.327 20 10 FGCDMN C[N@@H+](CCc1cnccn1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894424450 742281270 /nfs/dbraw/zinc/28/12/70/742281270.db2.gz GKDXSOIXDAPLHB-UHFFFAOYSA-N 0 1 356.651 3.273 20 10 FGCDMN Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000896840336 742606969 /nfs/dbraw/zinc/60/69/69/742606969.db2.gz NEPYDUZLZWULTH-UHFFFAOYSA-N 0 1 364.165 3.197 20 10 FGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897614040 742695518 /nfs/dbraw/zinc/69/55/18/742695518.db2.gz LZGMASKWAMAUNI-SECBINFHSA-N 0 1 359.298 3.469 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Cl)cc1[O-] ZINC000903435479 743850806 /nfs/dbraw/zinc/85/08/06/743850806.db2.gz QYGAXTYZRPVHGG-GXSJLCMTSA-N 0 1 369.252 3.124 20 10 FGCDMN CC[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)ccc1[O-] ZINC000927001789 759873394 /nfs/dbraw/zinc/87/33/94/759873394.db2.gz PEGZRZJTDRIYGZ-CQSZACIVSA-N 0 1 356.260 3.349 20 10 FGCDMN CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1cc(Br)ccc1[O-] ZINC000927155214 759909235 /nfs/dbraw/zinc/90/92/35/759909235.db2.gz JBINHEVEMCZUOI-BPUTZDHNSA-N 0 1 370.287 3.125 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccnn1[C@@H]1CCOC1 ZINC000934103984 761540162 /nfs/dbraw/zinc/54/01/62/761540162.db2.gz HHLZUZLCDDTDRG-LLVKDONJSA-N 0 1 371.224 3.179 20 10 FGCDMN CN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000043136901 494268612 /nfs/dbraw/zinc/26/86/12/494268612.db2.gz HFYOMEAVFBRXJM-KRWDZBQOSA-N 0 1 357.454 3.354 20 10 FGCDMN COc1cccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1O ZINC000073442827 494372842 /nfs/dbraw/zinc/37/28/42/494372842.db2.gz HUZUIVJQNSLQGQ-INIZCTEOSA-N 0 1 373.453 3.020 20 10 FGCDMN CCOc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccccc2O)cc1OC ZINC000109773206 494916690 /nfs/dbraw/zinc/91/66/90/494916690.db2.gz LINHFRKLPZPKBI-OAHLLOKOSA-N 0 1 372.465 3.109 20 10 FGCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cncs1 ZINC000135905812 495342016 /nfs/dbraw/zinc/34/20/16/495342016.db2.gz LFLKLKCYYALWLE-UHFFFAOYSA-N 0 1 357.401 3.288 20 10 FGCDMN Cc1cc(Cl)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154949815 495782946 /nfs/dbraw/zinc/78/29/46/495782946.db2.gz DQLQRKOKNYJMKB-MRXNPFEDSA-N 0 1 353.871 3.230 20 10 FGCDMN CCCOc1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c(O)c1 ZINC000154965920 495787838 /nfs/dbraw/zinc/78/78/38/495787838.db2.gz IFJPKINQUWEQKT-SFHVURJKSA-N 0 1 363.479 3.057 20 10 FGCDMN C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2ccccc2c1[O-] ZINC000186100644 495856119 /nfs/dbraw/zinc/85/61/19/495856119.db2.gz UVHOSSGYQGPTLD-AWEZNQCLSA-N 0 1 374.506 3.153 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(Br)cc1[O-] ZINC000186179665 495887311 /nfs/dbraw/zinc/88/73/11/495887311.db2.gz XQAGXCILQKDJHV-LLVKDONJSA-N 0 1 350.260 3.467 20 10 FGCDMN Cc1cccc2nc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cn21 ZINC000178055915 496307534 /nfs/dbraw/zinc/30/75/34/496307534.db2.gz DBOXZAFDHHGAJS-KRWDZBQOSA-N 0 1 350.466 3.330 20 10 FGCDMN CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000277514018 496799451 /nfs/dbraw/zinc/79/94/51/496799451.db2.gz WSHBVLVQDRPRJR-RKDXNWHRSA-N 0 1 353.810 3.436 20 10 FGCDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268877805 496811251 /nfs/dbraw/zinc/81/12/51/496811251.db2.gz QPZPYPVPRXZSEM-KKUMJFAQSA-N 0 1 360.477 3.332 20 10 FGCDMN COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C2CC2)ccc1O ZINC000278506036 497137571 /nfs/dbraw/zinc/13/75/71/497137571.db2.gz OXNQAUPUARPTDU-UHFFFAOYSA-N 0 1 374.393 3.188 20 10 FGCDMN COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C2CC2)ccc1O ZINC000278506036 497137577 /nfs/dbraw/zinc/13/75/77/497137577.db2.gz OXNQAUPUARPTDU-UHFFFAOYSA-N 0 1 374.393 3.188 20 10 FGCDMN c1cc(CNCc2ccc(N3CCCCC3)cc2)nc(N2CCOCC2)c1 ZINC000274822266 497175697 /nfs/dbraw/zinc/17/56/97/497175697.db2.gz SDDUZTUNBIVKAH-UHFFFAOYSA-N 0 1 366.509 3.198 20 10 FGCDMN Cc1c(CN2CCSCC2)cccc1NC(=O)Cc1ccc(N)cc1 ZINC000237591085 497260751 /nfs/dbraw/zinc/26/07/51/497260751.db2.gz YLNOBNBNHLDAHM-UHFFFAOYSA-N 0 1 355.507 3.307 20 10 FGCDMN CC(C)c1nc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000271581091 497389576 /nfs/dbraw/zinc/38/95/76/497389576.db2.gz WZRGIOHHUCCDKW-KBPBESRZSA-N 0 1 361.465 3.316 20 10 FGCDMN Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000279620742 497488793 /nfs/dbraw/zinc/48/87/93/497488793.db2.gz YGTZTUNBFBLVSM-VXGBXAGGSA-N 0 1 368.397 3.201 20 10 FGCDMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000279940061 497595654 /nfs/dbraw/zinc/59/56/54/497595654.db2.gz BDCJWMRTASNULR-NSHDSACASA-N 0 1 355.481 3.107 20 10 FGCDMN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276670263 497624752 /nfs/dbraw/zinc/62/47/52/497624752.db2.gz ZAFWQCXJLHWXHJ-INIZCTEOSA-N 0 1 372.440 3.221 20 10 FGCDMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276670263 497624759 /nfs/dbraw/zinc/62/47/59/497624759.db2.gz ZAFWQCXJLHWXHJ-INIZCTEOSA-N 0 1 372.440 3.221 20 10 FGCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1 ZINC000277079933 497735625 /nfs/dbraw/zinc/73/56/25/497735625.db2.gz CIXHGCYOEPKYQB-LSDHHAIUSA-N 0 1 370.501 3.479 20 10 FGCDMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263580781 497802979 /nfs/dbraw/zinc/80/29/79/497802979.db2.gz WHZIHHCSOMRKSC-QGZVFWFLSA-N 0 1 354.450 3.300 20 10 FGCDMN CCCN(CC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1O ZINC000299655783 497883903 /nfs/dbraw/zinc/88/39/03/497883903.db2.gz PFVTUSHTYJMOQY-UHFFFAOYSA-N 0 1 358.438 3.260 20 10 FGCDMN COc1cc(O)c(CNCc2c(F)cccc2N2CCCC2)cc1OC ZINC000289400721 498133085 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C[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1COc2ccccc2O1 ZINC000768182206 723649514 /nfs/dbraw/zinc/64/95/14/723649514.db2.gz WOSVGOJOGGXZPH-CQSZACIVSA-N 0 1 364.239 3.427 20 10 FGCDMN Oc1cc2c(cc1CN1CCN(CC(F)(F)C(F)F)CC1)CCCC2 ZINC000768448321 723658005 /nfs/dbraw/zinc/65/80/05/723658005.db2.gz UISAPYHEQJWUCI-UHFFFAOYSA-N 0 1 360.395 3.289 20 10 FGCDMN COc1ccccc1OCC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768823888 723668277 /nfs/dbraw/zinc/66/82/77/723668277.db2.gz RQIDQBJGPBIVTO-UHFFFAOYSA-N 0 1 366.801 3.473 20 10 FGCDMN O=C1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CN1c1c(F)cccc1F ZINC000770751529 723720517 /nfs/dbraw/zinc/72/05/17/723720517.db2.gz YHZCHHUILJOATE-SNVBAGLBSA-N 0 1 352.768 3.219 20 10 FGCDMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773108287 723776792 /nfs/dbraw/zinc/77/67/92/723776792.db2.gz VWCAGGMEZJEQHO-NEPJUHHUSA-N 0 1 366.811 3.141 20 10 FGCDMN CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1[O-] ZINC000775490299 723995175 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FGCDMN COc1ccsc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134687 725052024 /nfs/dbraw/zinc/05/20/24/725052024.db2.gz GLQLKLXEHKMVOE-UHFFFAOYSA-N 0 1 368.263 3.248 20 10 FGCDMN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1[O-] ZINC000806149891 725118268 /nfs/dbraw/zinc/11/82/68/725118268.db2.gz YOMHESPXCQLLET-OKZBNKHCSA-N 0 1 352.906 3.464 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccn(CC(F)F)n1 ZINC000806330415 725124678 /nfs/dbraw/zinc/12/46/78/725124678.db2.gz OQLOYQCVHMVHKU-UHFFFAOYSA-N 0 1 365.167 3.482 20 10 FGCDMN COC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000806898814 725148174 /nfs/dbraw/zinc/14/81/74/725148174.db2.gz NKPZTSPOXZDYFW-LBPRGKRZSA-N 0 1 359.209 3.479 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(F)c1 ZINC000807511883 725162206 /nfs/dbraw/zinc/16/22/06/725162206.db2.gz ZMPPKKBABDKPFJ-UHFFFAOYSA-N 0 1 357.168 3.093 20 10 FGCDMN Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000807512892 725162353 /nfs/dbraw/zinc/16/23/53/725162353.db2.gz ATFTXTDFRSCJPI-UHFFFAOYSA-N 0 1 371.195 3.401 20 10 FGCDMN COc1ccc(OCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807836797 725171507 /nfs/dbraw/zinc/17/15/07/725171507.db2.gz PPNRJIVAIXFBAS-UHFFFAOYSA-N 0 1 356.205 3.403 20 10 FGCDMN CCC[C@@H](C)N1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000807837325 725171657 /nfs/dbraw/zinc/17/16/57/725171657.db2.gz LMFFVOIGOPWVCU-ZYHUDNBSSA-N 0 1 373.280 3.352 20 10 FGCDMN C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836676 725171659 /nfs/dbraw/zinc/17/16/59/725171659.db2.gz JZHMAKKYOPOMDQ-SECBINFHSA-N 0 1 359.253 3.010 20 10 FGCDMN O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)cc(Cl)c1O ZINC000807836733 725171670 /nfs/dbraw/zinc/17/16/70/725171670.db2.gz MPJJFBFDYZZMFK-UHFFFAOYSA-N 0 1 350.205 3.434 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2c(cc1O)OCO2 ZINC000807838051 725171729 /nfs/dbraw/zinc/17/17/29/725171729.db2.gz JUASSKJARRRXBV-UHFFFAOYSA-N 0 1 356.161 3.063 20 10 FGCDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(=O)C1CCCC1 ZINC000807837842 725171905 /nfs/dbraw/zinc/17/19/05/725171905.db2.gz DENMNPVNWRVDKN-SNVBAGLBSA-N 0 1 373.280 3.400 20 10 FGCDMN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)ccc2O1 ZINC000808114357 725184501 /nfs/dbraw/zinc/18/45/01/725184501.db2.gz WCTOUVQRJBYWKG-QMMMGPOBSA-N 0 1 357.790 3.309 20 10 FGCDMN Nc1nccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000809662887 725257480 /nfs/dbraw/zinc/25/74/80/725257480.db2.gz HEKITQGXUQKDIG-SNVBAGLBSA-N 0 1 353.253 3.451 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000809713355 725261602 /nfs/dbraw/zinc/26/16/02/725261602.db2.gz NFQDGTRVBQJVQG-CMPLNLGQSA-N 0 1 354.166 3.354 20 10 FGCDMN Cn1cc(C[NH2+]Cc2cc(Br)ccc2[O-])c(-c2cccnc2)n1 ZINC000809713616 725261642 /nfs/dbraw/zinc/26/16/42/725261642.db2.gz UMIWYCBRTAUXGC-UHFFFAOYSA-N 0 1 373.254 3.240 20 10 FGCDMN CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216439 725297430 /nfs/dbraw/zinc/29/74/30/725297430.db2.gz VYHWAXJIDIMHOU-GXTWGEPZSA-N 0 1 354.376 3.367 20 10 FGCDMN CC[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223334 725297859 /nfs/dbraw/zinc/29/78/59/725297859.db2.gz LABHSZMVSXVERH-GXFFZTMASA-N 0 1 353.406 3.275 20 10 FGCDMN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237400 725298905 /nfs/dbraw/zinc/29/89/05/725298905.db2.gz HSRQITQBXDRXOB-CYBMUJFWSA-N 0 1 365.417 3.419 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(Br)ccc1[O-] ZINC000810242313 725299195 /nfs/dbraw/zinc/29/91/95/725299195.db2.gz PNYJXOPSTAETMA-NSHDSACASA-N 0 1 363.255 3.033 20 10 FGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCSC1 ZINC000810631468 725318703 /nfs/dbraw/zinc/31/87/03/725318703.db2.gz UYLNTVLRPPOMTQ-CJNGLKHVSA-N 0 1 368.930 3.269 20 10 FGCDMN CCCC(=O)N1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683103 726905014 /nfs/dbraw/zinc/90/50/14/726905014.db2.gz SYLJOYMVBHIZPM-CYBMUJFWSA-N 0 1 359.253 3.106 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccnc1-n1cccn1 ZINC000813683190 726905018 /nfs/dbraw/zinc/90/50/18/726905018.db2.gz WTJFTWOMTTVZOR-UHFFFAOYSA-N 0 1 363.204 3.210 20 10 FGCDMN O=C1NCCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1Cc1ccccc1 ZINC000816641445 727184079 /nfs/dbraw/zinc/18/40/79/727184079.db2.gz SCTCAVZOQNRABR-KRWDZBQOSA-N 0 1 362.832 3.118 20 10 FGCDMN O=C1NCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1Cc1ccccc1 ZINC000816641445 727184081 /nfs/dbraw/zinc/18/40/81/727184081.db2.gz SCTCAVZOQNRABR-KRWDZBQOSA-N 0 1 362.832 3.118 20 10 FGCDMN CCCN1C[C@@H](C[NH2+][C@H](CC)c2cc(Br)ccc2[O-])CC1=O ZINC000817590203 727268856 /nfs/dbraw/zinc/26/88/56/727268856.db2.gz WHMBSHCTNJGXGY-IUODEOHRSA-N 0 1 369.303 3.454 20 10 FGCDMN CCCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1=O ZINC000817589235 727268989 /nfs/dbraw/zinc/26/89/89/727268989.db2.gz MIAVHCGKZVVADA-RYUDHWBXSA-N 0 1 355.276 3.064 20 10 FGCDMN CO[C@]12CCC[C@@]1(C(=O)NCc1cc(Cl)cc(Cl)c1O)CCO2 ZINC000822950186 729235876 /nfs/dbraw/zinc/23/58/76/729235876.db2.gz ZOURXTGBCCFBOI-HOTGVXAUSA-N 0 1 360.237 3.249 20 10 FGCDMN CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824583765 729349192 /nfs/dbraw/zinc/34/91/92/729349192.db2.gz QHLGVGZWKMPSGE-HOCLYGCPSA-N 0 1 360.420 3.299 20 10 FGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824636533 729352254 /nfs/dbraw/zinc/35/22/54/729352254.db2.gz RSOVWRROCNDSFK-RDTXWAMCSA-N 0 1 353.796 3.485 20 10 FGCDMN Cn1cc([C@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])CC23CCOCC3)cn1 ZINC000824716624 729356443 /nfs/dbraw/zinc/35/64/43/729356443.db2.gz XEGGRIGTEFITIO-QGZVFWFLSA-N 0 1 361.873 3.175 20 10 FGCDMN Cn1cc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])CC23CCOCC3)cn1 ZINC000824716624 729356445 /nfs/dbraw/zinc/35/64/45/729356445.db2.gz XEGGRIGTEFITIO-QGZVFWFLSA-N 0 1 361.873 3.175 20 10 FGCDMN COc1cc(Br)cc(CN[C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825016761 729367960 /nfs/dbraw/zinc/36/79/60/729367960.db2.gz HRLYSTGQYIZIRE-BXKDBHETSA-N 0 1 352.232 3.155 20 10 FGCDMN COc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1OC ZINC000825050575 729369082 /nfs/dbraw/zinc/36/90/82/729369082.db2.gz TZJHWRYTUSHTAC-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124796 729371916 /nfs/dbraw/zinc/37/19/16/729371916.db2.gz YIHBNDXSISZVTK-ZANVPECISA-N 0 1 368.193 3.208 20 10 FGCDMN O=C1[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCN1C1CCCCC1 ZINC000825365152 729380382 /nfs/dbraw/zinc/38/03/82/729380382.db2.gz GBQHILXRCZCSPV-OAHLLOKOSA-N 0 1 367.287 3.178 20 10 FGCDMN CC(=O)NC1CCC([N@@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000825497515 729385385 /nfs/dbraw/zinc/38/53/85/729385385.db2.gz KFKRCYFAAMZMIF-UHFFFAOYSA-N 0 1 355.276 3.034 20 10 FGCDMN Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825650988 729390424 /nfs/dbraw/zinc/39/04/24/729390424.db2.gz BSOXBHHMUCLKKT-INIZCTEOSA-N 0 1 350.256 3.156 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000825773416 729394862 /nfs/dbraw/zinc/39/48/62/729394862.db2.gz GGQFPZNKTZHGHW-MRXNPFEDSA-N 0 1 350.256 3.238 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000826029255 729402842 /nfs/dbraw/zinc/40/28/42/729402842.db2.gz BGEKARCVPSSBAI-CYBMUJFWSA-N 0 1 351.855 3.015 20 10 FGCDMN Oc1ccc(Cl)c(F)c1CN1CCn2ncc(Br)c2C1 ZINC000827451594 729430358 /nfs/dbraw/zinc/43/03/58/729430358.db2.gz KTRQKAZOHXSGPP-UHFFFAOYSA-N 0 1 360.614 3.160 20 10 FGCDMN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCCO1 ZINC000835083211 729857603 /nfs/dbraw/zinc/85/76/03/729857603.db2.gz RTIAQFMORWKQTH-OAHLLOKOSA-N 0 1 370.877 3.161 20 10 FGCDMN C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)c2nccn21 ZINC000836626395 729963132 /nfs/dbraw/zinc/96/31/32/729963132.db2.gz BQRHUQDSKJFNAP-QPUJVOFHSA-N 0 1 355.225 3.401 20 10 FGCDMN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744983 730269951 /nfs/dbraw/zinc/26/99/51/730269951.db2.gz LVVQLJPLIRIPER-NWDGAFQWSA-N 0 1 368.886 3.366 20 10 FGCDMN C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1[O-] ZINC000841765420 730272163 /nfs/dbraw/zinc/27/21/63/730272163.db2.gz YADDJLLFXQWNHA-GFCCVEGCSA-N 0 1 369.870 3.179 20 10 FGCDMN CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(Br)ccc1[O-] ZINC000842921366 730557021 /nfs/dbraw/zinc/55/70/21/730557021.db2.gz XZDMHLSKACYFIG-RHSMWYFYSA-N 0 1 372.303 3.373 20 10 FGCDMN C[C@@H]1CN(c2ccc(CNCc3cnc(Cl)n3C)cc2F)C[C@@H](C)O1 ZINC000848530014 731176415 /nfs/dbraw/zinc/17/64/15/731176415.db2.gz BBKRDTQRFIOOJQ-CHWSQXEVSA-N 0 1 366.868 3.116 20 10 FGCDMN [O-]c1c(Br)cccc1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000849351900 731251744 /nfs/dbraw/zinc/25/17/44/731251744.db2.gz FBZVCCXSAFWQJC-INIZCTEOSA-N 0 1 363.255 3.428 20 10 FGCDMN COc1ccc(O)c([C@H](C)NCc2cc(OC)ncc2Br)c1 ZINC000856734197 732049152 /nfs/dbraw/zinc/04/91/52/732049152.db2.gz PICVVEGXWAJHMP-JTQLQIEISA-N 0 1 367.243 3.418 20 10 FGCDMN CN(C)c1cc(F)c(CNCCNC(=O)c2ccccc2Cl)cc1F ZINC000858136679 732184322 /nfs/dbraw/zinc/18/43/22/732184322.db2.gz YBDWNVICVUVMTC-UHFFFAOYSA-N 0 1 367.827 3.204 20 10 FGCDMN CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858148700 732186043 /nfs/dbraw/zinc/18/60/43/732186043.db2.gz HUUBSOQODDAMSE-PVUDRZGPSA-N 0 1 360.317 3.324 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000858149909 732186185 /nfs/dbraw/zinc/18/61/85/732186185.db2.gz ZRUUAHKLUSCYAY-NSHDSACASA-N 0 1 366.234 3.057 20 10 FGCDMN CNC(=O)CC1(C[NH2+]Cc2c([O-])cccc2Br)CCCCC1 ZINC000858195272 732191314 /nfs/dbraw/zinc/19/13/14/732191314.db2.gz UIAOJGOBMCQUOZ-UHFFFAOYSA-N 0 1 369.303 3.331 20 10 FGCDMN CCS(=O)(=O)c1c(Cl)cccc1CNCc1cc(C)ccc1O ZINC000858239264 732195969 /nfs/dbraw/zinc/19/59/69/732195969.db2.gz KQQPVHWPDATBDW-UHFFFAOYSA-N 0 1 353.871 3.437 20 10 FGCDMN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862236723 732792625 /nfs/dbraw/zinc/79/26/25/732792625.db2.gz CDDMJRMAYCJYII-CYBMUJFWSA-N 0 1 369.303 3.139 20 10 FGCDMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862236723 732792629 /nfs/dbraw/zinc/79/26/29/732792629.db2.gz CDDMJRMAYCJYII-CYBMUJFWSA-N 0 1 369.303 3.139 20 10 FGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862403265 732825616 /nfs/dbraw/zinc/82/56/16/732825616.db2.gz OLCKLAOBXXIDRF-BLLLJJGKSA-N 0 1 370.877 3.160 20 10 FGCDMN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1c(O)ccc(Cl)c1F ZINC000862473929 732839314 /nfs/dbraw/zinc/83/93/14/732839314.db2.gz CRYSPRNXNBDUIU-OAHLLOKOSA-N 0 1 367.804 3.067 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(C(F)F)nc3)SC2=S)CC1 ZINC000864355733 733049228 /nfs/dbraw/zinc/04/92/28/733049228.db2.gz IWIQKQPSXMCJMS-JYRVWZFOSA-N 0 1 369.462 3.315 20 10 FGCDMN C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000880004002 737096076 /nfs/dbraw/zinc/09/60/76/737096076.db2.gz PPZXVHKDWPRMID-XLKFXECMSA-N 0 1 354.237 3.404 20 10 FGCDMN C[NH+](C)CCc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000894345169 742271143 /nfs/dbraw/zinc/27/11/43/742271143.db2.gz LQVJTYBQHJYBAU-UHFFFAOYSA-N 0 1 361.873 3.149 20 10 FGCDMN COc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])c(O)c1OC ZINC000894430934 742283000 /nfs/dbraw/zinc/28/30/00/742283000.db2.gz AMJPZWQRSVUFKB-UHFFFAOYSA-N 0 1 368.227 3.167 20 10 FGCDMN Cc1nc([C@H]2CCN(Cc3ccc(N(C)C)cc3C(F)(F)F)C2)no1 ZINC000896232084 742518002 /nfs/dbraw/zinc/51/80/02/742518002.db2.gz GVKOFUFWJIZHFN-ZDUSSCGKSA-N 0 1 354.376 3.452 20 10 FGCDMN CCOC(=O)C1(C(F)(F)F)CCN(Cc2cccc(OC)c2O)CC1 ZINC000896962195 742622290 /nfs/dbraw/zinc/62/22/90/742622290.db2.gz QZOUUYNWFXXBFS-UHFFFAOYSA-N 0 1 361.360 3.108 20 10 FGCDMN COc1cc(NS(=O)(=O)c2cc(F)ccc2OC(C)C)ccc1O ZINC000901918797 743677986 /nfs/dbraw/zinc/67/79/86/743677986.db2.gz GWQQDBPAKNPQDK-UHFFFAOYSA-N 0 1 355.387 3.128 20 10 FGCDMN CC(C)OCc1cc(NS(=O)(=O)c2ccnn2C2CCC2)ccc1O ZINC000901930933 743680517 /nfs/dbraw/zinc/68/05/17/743680517.db2.gz ZCILRFUHOZVFHP-UHFFFAOYSA-N 0 1 365.455 3.040 20 10 FGCDMN COc1cccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1OC ZINC000903604945 743860930 /nfs/dbraw/zinc/86/09/30/743860930.db2.gz QNTWWYBMAKIZST-UHFFFAOYSA-N 0 1 362.451 3.105 20 10 FGCDMN COC[C@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(C)C ZINC000580276276 505720181 /nfs/dbraw/zinc/72/01/81/505720181.db2.gz LLJRVUBSRLEMCL-IBGZPJMESA-N 0 1 371.525 3.195 20 10 FGCDMN CN(Cc1ccccc1O)C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000115847412 494640375 /nfs/dbraw/zinc/64/03/75/494640375.db2.gz PWHIBUJFVYYCCI-UHFFFAOYSA-N 0 1 359.495 3.260 20 10 FGCDMN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000092707398 494722335 /nfs/dbraw/zinc/72/23/35/494722335.db2.gz HTTRGYOUCSNKLB-ZDUSSCGKSA-N 0 1 369.303 3.283 20 10 FGCDMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000092707398 494722337 /nfs/dbraw/zinc/72/23/37/494722337.db2.gz HTTRGYOUCSNKLB-ZDUSSCGKSA-N 0 1 369.303 3.283 20 10 FGCDMN Cc1nc(C2CCN(Cc3cc(Br)ccc3O)CC2)no1 ZINC000092787557 494746258 /nfs/dbraw/zinc/74/62/58/494746258.db2.gz HOLIHROZIMGDHT-UHFFFAOYSA-N 0 1 352.232 3.226 20 10 FGCDMN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092011281 494754472 /nfs/dbraw/zinc/75/44/72/494754472.db2.gz 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CC(=O)NC1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000273611046 496853088 /nfs/dbraw/zinc/85/30/88/496853088.db2.gz VWBFAGNLXUCBDH-GWMXKSKGSA-N 0 1 355.276 3.253 20 10 FGCDMN COCc1cccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000277746413 496873756 /nfs/dbraw/zinc/87/37/56/496873756.db2.gz UXTLVQBGCCFNIT-UHFFFAOYSA-N 0 1 351.424 3.127 20 10 FGCDMN COc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1C ZINC000277057451 497728839 /nfs/dbraw/zinc/72/88/39/497728839.db2.gz RBRHENJOOLMFOW-UHFFFAOYSA-N 0 1 353.871 3.350 20 10 FGCDMN CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(F)ccc2O)CC1 ZINC000292699796 498113701 /nfs/dbraw/zinc/11/37/01/498113701.db2.gz CGGYRKJDDUDAHE-UHFFFAOYSA-N 0 1 363.458 3.001 20 10 FGCDMN COc1ccc(N2CCN(CCCNc3ccc(Cl)cn3)CC2)cc1 ZINC000301453115 498117039 /nfs/dbraw/zinc/11/70/39/498117039.db2.gz RAFIPAPNXWCYBC-UHFFFAOYSA-N 0 1 360.889 3.368 20 10 FGCDMN Oc1ccc(Br)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289537470 498185287 /nfs/dbraw/zinc/18/52/87/498185287.db2.gz HWFHLDWBBQUBLP-CYBMUJFWSA-N 0 1 368.193 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CCCOc1ccc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c([O-])c1 ZINC000369492494 499408478 /nfs/dbraw/zinc/40/84/78/499408478.db2.gz IFSGVIYHGNTTFM-UHFFFAOYSA-N 0 1 356.470 3.072 20 10 FGCDMN Cc1ccn(C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000378351984 499505511 /nfs/dbraw/zinc/50/55/11/499505511.db2.gz VEJWCXFSOMMFJZ-UHFFFAOYSA-N 0 1 350.260 3.497 20 10 FGCDMN CC(=O)c1cc(Cl)cc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000375536559 499529795 /nfs/dbraw/zinc/52/97/95/499529795.db2.gz YIHFPDSXHDOZDX-INIZCTEOSA-N 0 1 356.813 3.246 20 10 FGCDMN COc1cc(Cl)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000377622687 499711995 /nfs/dbraw/zinc/71/19/95/499711995.db2.gz HDJOSAFJHJANTR-CQSZACIVSA-N 0 1 353.768 3.334 20 10 FGCDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)C1=S=C2CCCCCCC2=C1 ZINC000520132403 504417117 /nfs/dbraw/zinc/41/71/17/504417117.db2.gz LJPASCAQCPRUEW-UHFFFAOYSA-N 0 1 353.451 3.177 20 10 FGCDMN CCN(CC)c1ccc(CNCc2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000736531443 598885844 /nfs/dbraw/zinc/88/58/44/598885844.db2.gz GYCIPUMIXYDZQC-UHFFFAOYSA-N 0 1 372.423 3.281 20 10 FGCDMN CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737284962 600228257 /nfs/dbraw/zinc/22/82/57/600228257.db2.gz MXZMLAVMRFTMLU-DDJMYBDESA-N 0 1 370.409 3.293 20 10 FGCDMN Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833010054 601399614 /nfs/dbraw/zinc/39/96/14/601399614.db2.gz BGXGCSMJHRBOBK-INIZCTEOSA-N 0 1 365.433 3.413 20 10 FGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O ZINC000833308339 602204298 /nfs/dbraw/zinc/20/42/98/602204298.db2.gz RHYBYVVFXATBPV-QVKFZJNVSA-N 0 1 355.434 3.371 20 10 FGCDMN COc1cccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1O ZINC000833735280 604675931 /nfs/dbraw/zinc/67/59/31/604675931.db2.gz IUOGYAPURNCQLP-OAHLLOKOSA-N 0 1 355.312 3.076 20 10 FGCDMN Cc1cc(Br)c(O)c(C[NH+]2CCC(N(C)C(=O)[O-])CC2)c1 ZINC000833897260 605912773 /nfs/dbraw/zinc/91/27/73/605912773.db2.gz HLOVNKKVBAAAKW-UHFFFAOYSA-N 0 1 357.248 3.037 20 10 FGCDMN 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CN(CC[N@H+](C)Cc1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000779595960 724418943 /nfs/dbraw/zinc/41/89/43/724418943.db2.gz CATQQRUKRCXGAI-UHFFFAOYSA-N 0 1 373.291 3.453 20 10 FGCDMN CN(CC[N@@H+](C)Cc1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000779595960 724418945 /nfs/dbraw/zinc/41/89/45/724418945.db2.gz CATQQRUKRCXGAI-UHFFFAOYSA-N 0 1 373.291 3.453 20 10 FGCDMN CCCNC(=O)C[N@@H+](CCC)Cc1cc(C)cc(Br)c1[O-] ZINC000781903039 724610154 /nfs/dbraw/zinc/61/01/54/724610154.db2.gz WKOYSNTZIBXROE-UHFFFAOYSA-N 0 1 357.292 3.201 20 10 FGCDMN CO[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733329118 722495679 /nfs/dbraw/zinc/49/56/79/722495679.db2.gz NBZAZOSYBOAHOO-HNNXBMFYSA-N 0 1 361.364 3.252 20 10 FGCDMN CCc1cc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740866316 722538715 /nfs/dbraw/zinc/53/87/15/722538715.db2.gz BLGSPDMBRYMUII-HNNXBMFYSA-N 0 1 353.528 3.119 20 10 FGCDMN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000753733510 722910918 /nfs/dbraw/zinc/91/09/18/722910918.db2.gz VFFBROGWTVAISJ-WBVHZDCISA-N 0 1 368.518 3.434 20 10 FGCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(Cl)cc1F ZINC000755972905 722959216 /nfs/dbraw/zinc/95/92/16/722959216.db2.gz LFYFWVGIKAQYRO-UHFFFAOYSA-N 0 1 373.789 3.081 20 10 FGCDMN C[C@@H]([NH2+]CCCNc1ncccn1)c1ccc(Br)cc1[O-] ZINC000756641076 722968137 /nfs/dbraw/zinc/96/81/37/722968137.db2.gz FWZMYWDYEKQVQL-LLVKDONJSA-N 0 1 351.248 3.098 20 10 FGCDMN C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(Br)cc1[O-] ZINC000756661668 722968429 /nfs/dbraw/zinc/96/84/29/722968429.db2.gz SLUNMNFXCRRMOP-RYUDHWBXSA-N 0 1 354.244 3.250 20 10 FGCDMN COc1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)ccc1F ZINC000761994791 723204717 /nfs/dbraw/zinc/20/47/17/723204717.db2.gz GUQINBWVCMBUSM-UHFFFAOYSA-N 0 1 355.387 3.128 20 10 FGCDMN Cc1ccsc1CNC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000762937750 723295804 /nfs/dbraw/zinc/29/58/04/723295804.db2.gz NXJJZANQTUIPGK-UHFFFAOYSA-N 0 1 357.523 3.403 20 10 FGCDMN CCOC(=O)[C@@H](Cc1ccccc1)NCc1c(O)ccc(Cl)c1F ZINC000792172693 723318063 /nfs/dbraw/zinc/31/80/63/723318063.db2.gz MZOYPYBAJLMCKU-OAHLLOKOSA-N 0 1 351.805 3.449 20 10 FGCDMN O=C(NCc1cccc(Br)c1O)c1cc(F)cc2nc[nH]c21 ZINC000765765241 723539270 /nfs/dbraw/zinc/53/92/70/723539270.db2.gz QHQMDRQCKOJJKU-UHFFFAOYSA-N 0 1 364.174 3.100 20 10 FGCDMN O=C(CCc1ccco1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768910808 723671929 /nfs/dbraw/zinc/67/19/29/723671929.db2.gz ABYTYTNYBCGEIX-MRXNPFEDSA-N 0 1 362.857 3.352 20 10 FGCDMN CCC[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[N@H+]1CCOC ZINC000770284350 723710291 /nfs/dbraw/zinc/71/02/91/723710291.db2.gz OYSLRHBEDBIBFF-OAHLLOKOSA-N 0 1 371.319 3.087 20 10 FGCDMN C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000773160842 723777827 /nfs/dbraw/zinc/77/78/27/723777827.db2.gz DFXCEFPDTAQWRH-KBXCAEBGSA-N 0 1 360.527 3.477 20 10 FGCDMN COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000798002043 723897291 /nfs/dbraw/zinc/89/72/91/723897291.db2.gz VXKLJQAMXPLMKJ-ZDUSSCGKSA-N 0 1 362.857 3.064 20 10 FGCDMN COCC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774821657 723933072 /nfs/dbraw/zinc/93/30/72/723933072.db2.gz ULRJKDWLOUEUPL-UHFFFAOYSA-N 0 1 352.412 3.019 20 10 FGCDMN COCC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774821657 723933074 /nfs/dbraw/zinc/93/30/74/723933074.db2.gz ULRJKDWLOUEUPL-UHFFFAOYSA-N 0 1 352.412 3.019 20 10 FGCDMN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775291920 723977299 /nfs/dbraw/zinc/97/72/99/723977299.db2.gz RLDTXUBMRXOEPS-UHFFFAOYSA-N 0 1 367.398 3.044 20 10 FGCDMN CCc1nncn1CC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000775514298 723997565 /nfs/dbraw/zinc/99/75/65/723997565.db2.gz YKYFSWVWQWGBSX-ZDUSSCGKSA-N 0 1 353.264 3.050 20 10 FGCDMN Cc1cc(Br)cc(CN2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000775686332 724024639 /nfs/dbraw/zinc/02/46/39/724024639.db2.gz HVPBBXJNJBCRCN-OAHLLOKOSA-N 0 1 367.287 3.050 20 10 FGCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1F ZINC000805135005 725052377 /nfs/dbraw/zinc/05/23/77/725052377.db2.gz NDUHRRBCBHPUKI-UHFFFAOYSA-N 0 1 350.198 3.317 20 10 FGCDMN Cc1cc(F)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807512990 725162285 /nfs/dbraw/zinc/16/22/85/725162285.db2.gz FHNFKHDKKMPDKM-UHFFFAOYSA-N 0 1 371.195 3.401 20 10 FGCDMN O=C(CCC1CCCC1)NCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835169 725171453 /nfs/dbraw/zinc/17/14/53/725171453.db2.gz VYNNQBNWLOUGFM-UHFFFAOYSA-N 0 1 373.280 3.402 20 10 FGCDMN C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838582 725171725 /nfs/dbraw/zinc/17/17/25/725171725.db2.gz YBZLATWYIOFZKI-SECBINFHSA-N 0 1 361.269 3.256 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-c2nc[nH]n2)cc1 ZINC000807840440 725172171 /nfs/dbraw/zinc/17/21/71/725172171.db2.gz CPPGUHFOBXEWBI-UHFFFAOYSA-N 0 1 363.204 3.414 20 10 FGCDMN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840184 725172192 /nfs/dbraw/zinc/17/21/92/725172192.db2.gz SUFOZJUANYKMKI-CYBMUJFWSA-N 0 1 373.280 3.352 20 10 FGCDMN Cc1noc2ncc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc12 ZINC000807839958 725172320 /nfs/dbraw/zinc/17/23/20/725172320.db2.gz NWNUMRFMYZIXEN-UHFFFAOYSA-N 0 1 352.177 3.474 20 10 FGCDMN CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226622 725298295 /nfs/dbraw/zinc/29/82/95/725298295.db2.gz HNGCLBBICRZXMU-CYBMUJFWSA-N 0 1 365.417 3.277 20 10 FGCDMN COC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000812536055 725399681 /nfs/dbraw/zinc/39/96/81/725399681.db2.gz OXUAPZAJLGNUPS-JJRVBVJISA-N 0 1 368.905 3.045 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(C(F)(F)F)n[nH]1 ZINC000813686263 726905210 /nfs/dbraw/zinc/90/52/10/726905210.db2.gz XHAOADMTRFTPNX-UHFFFAOYSA-N 0 1 354.115 3.371 20 10 FGCDMN OC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)c(F)c1 ZINC000813792432 726914680 /nfs/dbraw/zinc/91/46/80/726914680.db2.gz PGKUSXKPTMHJKL-MRXNPFEDSA-N 0 1 366.230 3.346 20 10 FGCDMN Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824601632 729349608 /nfs/dbraw/zinc/34/96/08/729349608.db2.gz KYLZVUFLGOVMGA-LBPRGKRZSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824601632 729349609 /nfs/dbraw/zinc/34/96/09/729349609.db2.gz KYLZVUFLGOVMGA-LBPRGKRZSA-N 0 1 350.260 3.268 20 10 FGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000824632267 729351871 /nfs/dbraw/zinc/35/18/71/729351871.db2.gz BWFFXJSFLQSIQY-LBPRGKRZSA-N 0 1 368.886 3.194 20 10 FGCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000824632267 729351873 /nfs/dbraw/zinc/35/18/73/729351873.db2.gz BWFFXJSFLQSIQY-LBPRGKRZSA-N 0 1 368.886 3.194 20 10 FGCDMN O=C1CCCCCN1CCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825058914 729369292 /nfs/dbraw/zinc/36/92/92/729369292.db2.gz NIUKXGMICSOEOC-UHFFFAOYSA-N 0 1 355.276 3.037 20 10 FGCDMN O=C(NCCC[NH2+]Cc1ccc(Br)cc1[O-])c1cccs1 ZINC000825274630 729376538 /nfs/dbraw/zinc/37/65/38/729376538.db2.gz WRUYYWWZUFUCLU-UHFFFAOYSA-N 0 1 369.284 3.126 20 10 FGCDMN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc(Br)cc1[O-])C2 ZINC000825563499 729387864 /nfs/dbraw/zinc/38/78/64/729387864.db2.gz YLIGNQCOVPFPOR-GOSISDBHSA-N 0 1 373.250 3.251 20 10 FGCDMN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(Br)cc1[O-])C2 ZINC000825563499 729387865 /nfs/dbraw/zinc/38/78/65/729387865.db2.gz YLIGNQCOVPFPOR-GOSISDBHSA-N 0 1 373.250 3.251 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000825773665 729395006 /nfs/dbraw/zinc/39/50/06/729395006.db2.gz MWTHUCPHLUHLLZ-GOSISDBHSA-N 0 1 362.267 3.468 20 10 FGCDMN Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cccc(Br)c1[O-])C2 ZINC000828017909 729438586 /nfs/dbraw/zinc/43/85/86/729438586.db2.gz BMVMTKKYOARTMH-UHFFFAOYSA-N 0 1 364.287 3.473 20 10 FGCDMN CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(C)C ZINC000834880118 729841836 /nfs/dbraw/zinc/84/18/36/729841836.db2.gz JWJCOOKJEPHUDG-NHYWBVRUSA-N 0 1 357.292 3.308 20 10 FGCDMN CCOC(=O)c1csc(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)n1 ZINC000840939484 730194439 /nfs/dbraw/zinc/19/44/39/730194439.db2.gz NVRSYPDPTQZDEP-UHFFFAOYSA-N 0 1 354.859 3.320 20 10 FGCDMN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841746409 730270176 /nfs/dbraw/zinc/27/01/76/730270176.db2.gz GHGDASWVFAQEAG-VXGBXAGGSA-N 0 1 368.886 3.366 20 10 FGCDMN COc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000842586895 730516101 /nfs/dbraw/zinc/51/61/01/730516101.db2.gz ZOGGYIODTYLOOJ-UHFFFAOYSA-N 0 1 369.414 3.266 20 10 FGCDMN CNC(=O)[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])Cc1ccc(F)cc1C ZINC000842723321 730535675 /nfs/dbraw/zinc/53/56/75/730535675.db2.gz XACJZJQOEROXHF-OAHLLOKOSA-N 0 1 364.848 3.188 20 10 FGCDMN COC(=O)[C@H](NCc1cc(Cl)cc(F)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846109808 730929786 /nfs/dbraw/zinc/92/97/86/730929786.db2.gz WFAIYQJZRNQBPE-PSOPSSQASA-N 0 1 359.825 3.021 20 10 FGCDMN CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000846210891 730936802 /nfs/dbraw/zinc/93/68/02/730936802.db2.gz CWRLSBPQJZQZDL-HOCLYGCPSA-N 0 1 358.276 3.127 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000848568936 731182919 /nfs/dbraw/zinc/18/29/19/731182919.db2.gz AWEAPWQCLDRKNC-TZMCWYRMSA-N 0 1 369.259 3.179 20 10 FGCDMN COc1ccc(N2CC[C@@H](NCc3ncc(Br)s3)C2)cc1 ZINC000850347147 731345289 /nfs/dbraw/zinc/34/52/89/731345289.db2.gz OQJHAZJWXKGUBH-LLVKDONJSA-N 0 1 368.300 3.283 20 10 FGCDMN C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000850556874 731372918 /nfs/dbraw/zinc/37/29/18/731372918.db2.gz KJTKFCYQJSRJTR-IUODEOHRSA-N 0 1 369.303 3.059 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000850559085 731373279 /nfs/dbraw/zinc/37/32/79/731373279.db2.gz XCYDHSYZZBKVIN-NWDGAFQWSA-N 0 1 369.303 3.452 20 10 FGCDMN COc1cc(Br)cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1O ZINC000854243908 731807512 /nfs/dbraw/zinc/80/75/12/731807512.db2.gz HMNWQCHFPOOVLE-UHFFFAOYSA-N 0 1 360.248 3.096 20 10 FGCDMN O=C1CCCCCN1CCC[NH2+]Cc1c([O-])cccc1Br ZINC000858088023 732178952 /nfs/dbraw/zinc/17/89/52/732178952.db2.gz YHGZYRUMCDPYJY-UHFFFAOYSA-N 0 1 355.276 3.037 20 10 FGCDMN C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000858526469 732223955 /nfs/dbraw/zinc/22/39/55/732223955.db2.gz CGLUIBJSFRKWMU-JSGCOSHPSA-N 0 1 370.877 3.332 20 10 FGCDMN CCCOCCOC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000859008054 732267859 /nfs/dbraw/zinc/26/78/59/732267859.db2.gz QFWNBHMRGAAMLD-MRXNPFEDSA-N 0 1 370.877 3.163 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000862237237 732793462 /nfs/dbraw/zinc/79/34/62/732793462.db2.gz YFHFHLRNXCTEOA-CQSZACIVSA-N 0 1 370.287 3.315 20 10 FGCDMN CC(=O)NC1CCC([N@H+](C)Cc2c([O-])cccc2Br)CC1 ZINC000862321938 732807737 /nfs/dbraw/zinc/80/77/37/732807737.db2.gz CNFKWQSCDSFKGO-UHFFFAOYSA-N 0 1 355.276 3.034 20 10 FGCDMN CC(=O)NC1CCC([N@@H+](C)Cc2c([O-])cccc2Br)CC1 ZINC000862321938 732807744 /nfs/dbraw/zinc/80/77/44/732807744.db2.gz CNFKWQSCDSFKGO-UHFFFAOYSA-N 0 1 355.276 3.034 20 10 FGCDMN CN1CCN(c2ccc(CN[C@H](c3nccs3)C(F)(F)F)cc2)CC1 ZINC000862432351 732834596 /nfs/dbraw/zinc/83/45/96/732834596.db2.gz ZUNCCZACLMTRGW-OAHLLOKOSA-N 0 1 370.444 3.288 20 10 FGCDMN C[C@H]1C[C@H](NCc2c(Br)cnn2C)c2c1c(F)ccc2O ZINC000866431573 733348777 /nfs/dbraw/zinc/34/87/77/733348777.db2.gz XBKFCVCJOLHQQH-KWQFWETISA-N 0 1 354.223 3.365 20 10 FGCDMN CCOC1CC2(C[C@@H]2NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000873278219 735745588 /nfs/dbraw/zinc/74/55/88/735745588.db2.gz CFBAPARWRNYDRM-ULKWEWGCSA-N 0 1 359.253 3.456 20 10 FGCDMN C[C@H](N[C@H](CCO)C(F)(F)F)c1cc(Br)c(F)cc1O ZINC000886801114 739302720 /nfs/dbraw/zinc/30/27/20/739302720.db2.gz ICESWBMQCUGBCQ-UPONEAKYSA-N 0 1 360.145 3.258 20 10 FGCDMN COc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)sn1 ZINC000876946879 736166534 /nfs/dbraw/zinc/16/65/34/736166534.db2.gz XFRARYGAPBARDP-BETUJISGSA-N 0 1 365.474 3.194 20 10 FGCDMN CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1cccc(Br)c1O ZINC000877856345 736735916 /nfs/dbraw/zinc/73/59/16/736735916.db2.gz BJDUUODRMYUYLR-CYBMUJFWSA-N 0 1 355.276 3.410 20 10 FGCDMN CCN(CC)c1ccc(CNCc2c3c(nn2C)CCSC3)cc1F ZINC000882989747 737509062 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ZINC000905002811 743987322 /nfs/dbraw/zinc/98/73/22/743987322.db2.gz QXHAJFOZPSFYFU-ATVHPVEESA-N 0 1 373.547 3.256 20 10 FGCDMN CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1cc(Br)ccc1[O-] ZINC000927155215 759909397 /nfs/dbraw/zinc/90/93/97/759909397.db2.gz JBINHEVEMCZUOI-CWRNSKLLSA-N 0 1 370.287 3.125 20 10 FGCDMN CCN(CC)c1ccc(CNC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000081556041 493915025 /nfs/dbraw/zinc/91/50/25/493915025.db2.gz MWZATQOHMJBELG-UHFFFAOYSA-N 0 1 368.553 3.082 20 10 FGCDMN COc1cc(Br)cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000121183925 494634887 /nfs/dbraw/zinc/63/48/87/494634887.db2.gz DACSTVURFQXIGJ-NSHDSACASA-N 0 1 366.259 3.266 20 10 FGCDMN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4[nH]ncc43)cc2)CC1 ZINC000135431599 495291457 /nfs/dbraw/zinc/29/14/57/495291457.db2.gz DNSIBFDHTZSTFU-GOSISDBHSA-N 0 1 352.482 3.382 20 10 FGCDMN COc1ccc(N2CCC[N@@H+](Cc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC000159906780 495837271 /nfs/dbraw/zinc/83/72/71/495837271.db2.gz AIGWMHVOXYCNJN-UHFFFAOYSA-N 0 1 372.465 3.130 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FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCCOC2)C1 ZINC000557433337 505133692 /nfs/dbraw/zinc/13/36/92/505133692.db2.gz JHZIUVWIKZUSPN-KRWDZBQOSA-N 0 1 369.509 3.045 20 10 FGCDMN CN(C[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1)C(=O)[O-] ZINC000739635793 602860811 /nfs/dbraw/zinc/86/08/11/602860811.db2.gz HHCBFUWHQUKASX-CYBMUJFWSA-N 0 1 350.459 3.217 20 10 FGCDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000825262589 604026792 /nfs/dbraw/zinc/02/67/92/604026792.db2.gz AZXQXGYCYXEOTR-CHWSQXEVSA-N 0 1 350.459 3.263 20 10 FGCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829496895 604769935 /nfs/dbraw/zinc/76/99/35/604769935.db2.gz URLUYSGKNGZGBL-IBGZPJMESA-N 0 1 359.422 3.447 20 10 FGCDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000833816565 605602547 /nfs/dbraw/zinc/60/25/47/605602547.db2.gz ZTZKQSXALWJADF-QWRGUYRKSA-N 0 1 357.248 3.023 20 10 FGCDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000833816565 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FGCDMN CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000161097498 705268690 /nfs/dbraw/zinc/26/86/90/705268690.db2.gz ZVJPIEBUBXFBRO-LBPRGKRZSA-N 0 1 352.283 3.098 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC1CCCC1 ZINC000174423627 705503975 /nfs/dbraw/zinc/50/39/75/705503975.db2.gz JCXOAJVMPJNNNP-LBPRGKRZSA-N 0 1 369.303 3.424 20 10 FGCDMN CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Br)ccc1[O-] ZINC000192700407 712871307 /nfs/dbraw/zinc/87/13/07/712871307.db2.gz BFRPIRQVFCQJIN-OAHLLOKOSA-N 0 1 363.255 3.495 20 10 FGCDMN C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cc(Br)ccc1[O-] ZINC000756635658 722968020 /nfs/dbraw/zinc/96/80/20/722968020.db2.gz GMOVHUTYQGBWFD-IAQYHMDHSA-N 0 1 359.333 3.243 20 10 FGCDMN C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)Cn1cccn1 ZINC000804968681 724569427 /nfs/dbraw/zinc/56/94/27/724569427.db2.gz DCKSQZHELIJUBK-JTQLQIEISA-N 0 1 357.241 3.031 20 10 FGCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1csc(-c2cccs2)n1 ZINC000728697654 722453872 /nfs/dbraw/zinc/45/38/72/722453872.db2.gz 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FGCDMN COc1ccc(OCC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000738048801 600314698 /nfs/dbraw/zinc/31/46/98/600314698.db2.gz IMDZHUZSVGVXGJ-UHFFFAOYSA-N 0 1 365.813 3.020 20 10 FGCDMN COc1cc(O)c(C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1OC ZINC000833729789 604544994 /nfs/dbraw/zinc/54/49/94/604544994.db2.gz OVAOFLBOAYELQF-UHFFFAOYSA-N 0 1 365.813 3.150 20 10 FGCDMN C[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694150 604644869 /nfs/dbraw/zinc/64/48/69/604644869.db2.gz BKDMQNMYRKYFAL-OAHLLOKOSA-N 0 1 350.212 3.412 20 10 FGCDMN O=[S@](CCN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000111233003 700547148 /nfs/dbraw/zinc/54/71/48/700547148.db2.gz PZPBUWBOCDPSGS-BVZFJXPGSA-N 0 1 359.491 3.181 20 10 FGCDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000136583631 704862714 /nfs/dbraw/zinc/86/27/14/704862714.db2.gz HJXZELJEXZSXHI-UHFFFAOYSA-N 0 1 358.511 3.325 20 10 FGCDMN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000179962452 705722204 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Cc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1F ZINC000731500498 722475997 /nfs/dbraw/zinc/47/59/97/722475997.db2.gz IYLOMYQAGFMXCK-XNTDXEJSSA-N 0 1 350.484 3.430 20 10 FGCDMN O=C(Nc1nccs1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000732232734 722482862 /nfs/dbraw/zinc/48/28/62/722482862.db2.gz HWAWKEDXDVBFGE-CYBMUJFWSA-N 0 1 366.874 3.288 20 10 FGCDMN CCN(CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C1CC1 ZINC000749354114 722725807 /nfs/dbraw/zinc/72/58/07/722725807.db2.gz XFSKJCPTYVGEIJ-UHFFFAOYSA-N 0 1 357.420 3.128 20 10 FGCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000753136977 722886647 /nfs/dbraw/zinc/88/66/47/722886647.db2.gz GIRFJNYZFRWUHM-RBUKOAKNSA-N 0 1 361.555 3.071 20 10 FGCDMN OCC[N@@H+](Cc1cc(Br)cs1)Cc1cc(F)ccc1O ZINC000756120485 722961013 /nfs/dbraw/zinc/96/10/13/722961013.db2.gz IYPLSVYUJXDEMW-UHFFFAOYSA-N 0 1 360.248 3.350 20 10 FGCDMN OCCN(Cc1cc(Br)cs1)Cc1cc(F)ccc1O ZINC000756120485 722961014 /nfs/dbraw/zinc/96/10/14/722961014.db2.gz IYPLSVYUJXDEMW-UHFFFAOYSA-N 0 1 360.248 3.350 20 10 FGCDMN Cc1nc(CCC[NH2+]Cc2c(O)ccc(Cl)c2F)sc1C(=O)[O-] ZINC000756303801 722962661 /nfs/dbraw/zinc/96/26/61/722962661.db2.gz ZJYQMIWZLSFLNJ-UHFFFAOYSA-N 0 1 358.822 3.370 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1[O-] ZINC000756501302 722965702 /nfs/dbraw/zinc/96/57/02/722965702.db2.gz DATSPHPODBHCMW-GXSJLCMTSA-N 0 1 367.209 3.442 20 10 FGCDMN C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(Br)cc1[O-] ZINC000756661666 722968446 /nfs/dbraw/zinc/96/84/46/722968446.db2.gz SLUNMNFXCRRMOP-NWDGAFQWSA-N 0 1 354.244 3.250 20 10 FGCDMN C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1O ZINC000757635939 722977767 /nfs/dbraw/zinc/97/77/67/722977767.db2.gz CGFZZYVXBXXTNU-VIFPVBQESA-N 0 1 357.241 3.157 20 10 FGCDMN CCN(Cc1n[nH]c(C(C)C)n1)Cc1cc(Br)ccc1O ZINC000794382603 723516992 /nfs/dbraw/zinc/51/69/92/723516992.db2.gz JTUKZZCQNLXSKX-UHFFFAOYSA-N 0 1 353.264 3.418 20 10 FGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765608848 723527413 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371.275 3.426 20 10 FGCDMN CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775534128 723998758 /nfs/dbraw/zinc/99/87/58/723998758.db2.gz BXNJGHQGMZHIFB-UVBJJODRSA-N 0 1 362.861 3.014 20 10 FGCDMN CC[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775555996 723999805 /nfs/dbraw/zinc/99/98/05/723999805.db2.gz UEIVUVDXMOUZSA-JKSUJKDBSA-N 0 1 372.303 3.373 20 10 FGCDMN COc1ccc(OC)c2c1CN(Cc1cc(Cl)cc(F)c1O)C[C@H]2O ZINC000775646001 724014805 /nfs/dbraw/zinc/01/48/05/724014805.db2.gz DTJPNKKZEHMIHI-CQSZACIVSA-N 0 1 367.804 3.251 20 10 FGCDMN C[NH+](C)CCn1c(=O)oc2ccc(NCc3cccc(Cl)c3[O-])cc21 ZINC000777493519 724231938 /nfs/dbraw/zinc/23/19/38/724231938.db2.gz GPOISNGQPXWCAR-UHFFFAOYSA-N 0 1 361.829 3.127 20 10 FGCDMN Cc1cc(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)ccc1O ZINC000800839183 724235236 /nfs/dbraw/zinc/23/52/36/724235236.db2.gz XUUVBYSIXSNJLH-UHFFFAOYSA-N 0 1 351.811 3.284 20 10 FGCDMN CCOC(=O)[C@H](CC)[N@@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000787441740 725028476 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O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]nc1-c1cccnc1 ZINC000807837019 725171666 /nfs/dbraw/zinc/17/16/66/725171666.db2.gz YLHSEDUSZANQRT-UHFFFAOYSA-N 0 1 363.204 3.414 20 10 FGCDMN O=C(Cn1ncc2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC000807840004 725172223 /nfs/dbraw/zinc/17/22/23/725172223.db2.gz PDSBEWHNTVCCNO-UHFFFAOYSA-N 0 1 350.205 3.365 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(-n2cccn2)n1 ZINC000807840211 725172249 /nfs/dbraw/zinc/17/22/49/725172249.db2.gz URZMRBDHIKYKEB-UHFFFAOYSA-N 0 1 363.204 3.210 20 10 FGCDMN O=C1CSc2ncnc(NCc3cc(Cl)cc(Cl)c3O)c2N1 ZINC000808087488 725183085 /nfs/dbraw/zinc/18/30/85/725183085.db2.gz WOFQFMYIUTWLMA-UHFFFAOYSA-N 0 1 357.222 3.145 20 10 FGCDMN CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239876 725299037 /nfs/dbraw/zinc/29/90/37/725299037.db2.gz IXTVPBZMUMODBG-CYBMUJFWSA-N 0 1 353.406 3.275 20 10 FGCDMN CC(C)OCc1nc([C@H](C)NCc2cccc(Br)c2O)no1 ZINC000811517747 725372170 /nfs/dbraw/zinc/37/21/70/725372170.db2.gz BJXTWXWORKUZQR-JTQLQIEISA-N 0 1 370.247 3.314 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000811519019 725372417 /nfs/dbraw/zinc/37/24/17/725372417.db2.gz RVRNUUHZSRPVAX-HOCLYGCPSA-N 0 1 352.818 3.487 20 10 FGCDMN COC1([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCOCC1 ZINC000817589585 727268955 /nfs/dbraw/zinc/26/89/55/727268955.db2.gz ZCFKFHIYLRYESM-RYUDHWBXSA-N 0 1 358.276 3.389 20 10 FGCDMN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650314 729352979 /nfs/dbraw/zinc/35/29/79/729352979.db2.gz OEUDIEGVQFVZEM-CYBMUJFWSA-N 0 1 369.303 3.139 20 10 FGCDMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824650314 729352981 /nfs/dbraw/zinc/35/29/81/729352981.db2.gz OEUDIEGVQFVZEM-CYBMUJFWSA-N 0 1 369.303 3.139 20 10 FGCDMN Cn1cc([C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CC23CCOCC3)cn1 ZINC000824715862 729356306 /nfs/dbraw/zinc/35/63/06/729356306.db2.gz PSLKWMPHYCZTNG-MRXNPFEDSA-N 0 1 361.873 3.175 20 10 FGCDMN CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824870502 729363034 /nfs/dbraw/zinc/36/30/34/729363034.db2.gz SLRZTAYCQCGFPG-GFCCVEGCSA-N 0 1 356.260 3.318 20 10 FGCDMN CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824870502 729363036 /nfs/dbraw/zinc/36/30/36/729363036.db2.gz SLRZTAYCQCGFPG-GFCCVEGCSA-N 0 1 356.260 3.318 20 10 FGCDMN COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825064189 729369393 /nfs/dbraw/zinc/36/93/93/729369393.db2.gz KHILXTSTQJAKRC-KRWDZBQOSA-N 0 1 351.830 3.194 20 10 FGCDMN COC(=O)c1oc(CNCc2ccc(N3CCSCC3)cc2)cc1C ZINC000825126230 729372101 /nfs/dbraw/zinc/37/21/01/729372101.db2.gz PKWQONUSCAYDCG-UHFFFAOYSA-N 0 1 360.479 3.218 20 10 FGCDMN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825892752 729398742 /nfs/dbraw/zinc/39/87/42/729398742.db2.gz IRSWHBOVRZNVBO-CQSZACIVSA-N 0 1 355.276 3.035 20 10 FGCDMN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825892752 729398745 /nfs/dbraw/zinc/39/87/45/729398745.db2.gz IRSWHBOVRZNVBO-CQSZACIVSA-N 0 1 355.276 3.035 20 10 FGCDMN Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000825892750 729398770 /nfs/dbraw/zinc/39/87/70/729398770.db2.gz IQNNBKOUDQZOKS-UHFFFAOYSA-N 0 1 364.165 3.197 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCCn2cc(Br)cn2)cc1Cl ZINC000825939933 729400209 /nfs/dbraw/zinc/40/02/09/729400209.db2.gz JBFCDKAUPUBZJP-UHFFFAOYSA-N 0 1 358.667 3.493 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000826899160 729418374 /nfs/dbraw/zinc/41/83/74/729418374.db2.gz CRYNPYXOHUZGIS-UHFFFAOYSA-N 0 1 362.271 3.440 20 10 FGCDMN CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834827522 729837264 /nfs/dbraw/zinc/83/72/64/729837264.db2.gz KIDQTTHGMLYHSF-SMDDNHRTSA-N 0 1 354.237 3.361 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]CCCS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000840885692 730188068 /nfs/dbraw/zinc/18/80/68/730188068.db2.gz FWDYUBSANXUTAA-UHFFFAOYSA-N 0 1 353.871 3.308 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c(Cl)c1 ZINC000840887046 730188415 /nfs/dbraw/zinc/18/84/15/730188415.db2.gz GFOAYMHEMYXJGS-UHFFFAOYSA-N 0 1 353.871 3.188 20 10 FGCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000840995676 730201982 /nfs/dbraw/zinc/20/19/82/730201982.db2.gz JCIBNOARRMVJHL-GFCCVEGCSA-N 0 1 355.276 3.344 20 10 FGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000842587306 730516127 /nfs/dbraw/zinc/51/61/27/730516127.db2.gz CHFODWHJQAWYNO-UHFFFAOYSA-N 0 1 366.395 3.062 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)ccc1[O-] ZINC000842883578 730553472 /nfs/dbraw/zinc/55/34/72/730553472.db2.gz DWKXDMXEKAUPKU-GXFFZTMASA-N 0 1 355.276 3.205 20 10 FGCDMN Cc1cc(Br)c([O-])c(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000843120773 730588231 /nfs/dbraw/zinc/58/82/31/730588231.db2.gz UHSOTEPIBNPFCA-MRXNPFEDSA-N 0 1 362.271 3.005 20 10 FGCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@]1(O)CCc2ccccc21 ZINC000843420338 730619051 /nfs/dbraw/zinc/61/90/51/730619051.db2.gz CNHBLCKELJHBHO-SFHVURJKSA-N 0 1 362.267 3.421 20 10 FGCDMN CCC[N@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H]1CCN(C)C1 ZINC000843422684 730619308 /nfs/dbraw/zinc/61/93/08/730619308.db2.gz QBWXLGDLDSTGIB-AWEZNQCLSA-N 0 1 357.292 3.079 20 10 FGCDMN CCC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H]1CCN(C)C1 ZINC000843422684 730619309 /nfs/dbraw/zinc/61/93/09/730619309.db2.gz QBWXLGDLDSTGIB-AWEZNQCLSA-N 0 1 357.292 3.079 20 10 FGCDMN Cn1nccc1[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C ZINC000843432766 730620821 /nfs/dbraw/zinc/62/08/21/730620821.db2.gz PLRYBJUDOLFXTL-HNNXBMFYSA-N 0 1 369.824 3.091 20 10 FGCDMN C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056657 730924137 /nfs/dbraw/zinc/92/41/37/730924137.db2.gz WCSWQQXPGHJEAI-LBPRGKRZSA-N 0 1 358.825 3.210 20 10 FGCDMN COCc1csc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000849173246 731233661 /nfs/dbraw/zinc/23/36/61/731233661.db2.gz DSCFGAXHCLWYED-ZSOIEALJSA-N 0 1 368.549 3.190 20 10 FGCDMN CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1cc(Br)ccc1O ZINC000850499313 731364724 /nfs/dbraw/zinc/36/47/24/731364724.db2.gz MYINKENYELGILF-JIMOISOXSA-N 0 1 351.248 3.493 20 10 FGCDMN C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000850519159 731368107 /nfs/dbraw/zinc/36/81/07/731368107.db2.gz LFKFAZWZTGMPHA-NSHDSACASA-N 0 1 361.385 3.173 20 10 FGCDMN CC[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(Cl)ccc1[O-] ZINC000850559985 731373324 /nfs/dbraw/zinc/37/33/24/731373324.db2.gz BFQDZKRBALABQS-GOEBONIOSA-N 0 1 351.878 3.376 20 10 FGCDMN CC[N@@H+](CCO[C@H]1CC1(F)F)Cc1cc(Br)ccc1O ZINC000851791758 731498642 /nfs/dbraw/zinc/49/86/42/731498642.db2.gz CUKHLCDFFPOTBD-ZDUSSCGKSA-N 0 1 350.203 3.401 20 10 FGCDMN CC[N@H+](CCO[C@H]1CC1(F)F)Cc1cc(Br)ccc1[O-] ZINC000851791758 731498645 /nfs/dbraw/zinc/49/86/45/731498645.db2.gz CUKHLCDFFPOTBD-ZDUSSCGKSA-N 0 1 350.203 3.401 20 10 FGCDMN CC[N@@H+](CCO[C@H]1CC1(F)F)Cc1cc(Br)ccc1[O-] ZINC000851791758 731498650 /nfs/dbraw/zinc/49/86/50/731498650.db2.gz CUKHLCDFFPOTBD-ZDUSSCGKSA-N 0 1 350.203 3.401 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(F)c(F)c3F)SC2=S)CC1 ZINC000853000148 731648419 /nfs/dbraw/zinc/64/84/19/731648419.db2.gz DYXRUPYVGOJKPQ-WQLSENKSSA-N 0 1 372.437 3.399 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000854475702 731832383 /nfs/dbraw/zinc/83/23/83/731832383.db2.gz WIMYFOXGWNBRNA-MBNYWOFBSA-N 0 1 371.264 3.010 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000858142868 732185413 /nfs/dbraw/zinc/18/54/13/732185413.db2.gz PGNVLFNSEDLUCL-CQSZACIVSA-N 0 1 350.256 3.411 20 10 FGCDMN Oc1cccc(Br)c1CNCc1cccnc1N1CCCC1 ZINC000858186806 732190612 /nfs/dbraw/zinc/19/06/12/732190612.db2.gz MCTHICYWYUUYLS-UHFFFAOYSA-N 0 1 362.271 3.440 20 10 FGCDMN NC(=O)CC1(C[NH2+]Cc2c([O-])cccc2Br)CCCCC1 ZINC000858195371 732191317 /nfs/dbraw/zinc/19/13/17/732191317.db2.gz UHXCFJNBPHTPII-UHFFFAOYSA-N 0 1 355.276 3.070 20 10 FGCDMN CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000859812694 732397602 /nfs/dbraw/zinc/39/76/02/732397602.db2.gz VYHYACGPLQAUDK-SUMWQHHRSA-N 0 1 356.388 3.458 20 10 FGCDMN CCO[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241896 732480108 /nfs/dbraw/zinc/48/01/08/732480108.db2.gz MZTJELHLFTZIDH-AEFFLSMTSA-N 0 1 368.905 3.187 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000862292541 732805940 /nfs/dbraw/zinc/80/59/40/732805940.db2.gz HRSVKBGEHSYMOJ-QGZVFWFLSA-N 0 1 366.230 3.387 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000862292541 732805943 /nfs/dbraw/zinc/80/59/43/732805943.db2.gz HRSVKBGEHSYMOJ-QGZVFWFLSA-N 0 1 366.230 3.387 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348908 732812870 /nfs/dbraw/zinc/81/28/70/732812870.db2.gz YMNNOJIUOHFBOW-NOZJJQNGSA-N 0 1 368.193 3.290 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348908 732812876 /nfs/dbraw/zinc/81/28/76/732812876.db2.gz YMNNOJIUOHFBOW-NOZJJQNGSA-N 0 1 368.193 3.290 20 10 FGCDMN Oc1cccc(Br)c1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348908 732812880 /nfs/dbraw/zinc/81/28/80/732812880.db2.gz YMNNOJIUOHFBOW-NOZJJQNGSA-N 0 1 368.193 3.290 20 10 FGCDMN Cn1ccnc1[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862350226 732813024 /nfs/dbraw/zinc/81/30/24/732813024.db2.gz MEXYPUHORFJQBI-LBPRGKRZSA-N 0 1 350.260 3.268 20 10 FGCDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862350226 732813028 /nfs/dbraw/zinc/81/30/28/732813028.db2.gz MEXYPUHORFJQBI-LBPRGKRZSA-N 0 1 350.260 3.268 20 10 FGCDMN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866463576 733353000 /nfs/dbraw/zinc/35/30/00/733353000.db2.gz BOPQILIXWPJVQG-PGUXBMHVSA-N 0 1 366.811 3.139 20 10 FGCDMN CCC1([NH+]2CCCCC2)CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000881626803 737358920 /nfs/dbraw/zinc/35/89/20/737358920.db2.gz PZSSLBGNNVARIC-UHFFFAOYSA-N 0 1 350.434 3.108 20 10 FGCDMN FC(F)(F)Cc1ncc(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000892667969 740029366 /nfs/dbraw/zinc/02/93/66/740029366.db2.gz FOXCMCUQFADYTG-UHFFFAOYSA-N 0 1 371.428 3.374 20 10 FGCDMN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(F)cc(F)c1O ZINC000893919136 742213348 /nfs/dbraw/zinc/21/33/48/742213348.db2.gz GRPHVMVLCPRTBQ-LLVKDONJSA-N 0 1 355.406 3.267 20 10 FGCDMN CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000903235808 743827633 /nfs/dbraw/zinc/82/76/33/743827633.db2.gz VWHFPKMFJCKLBG-LBPRGKRZSA-N 0 1 368.886 3.195 20 10 FGCDMN COc1nn(C)cc1CN[C@H](C)c1cc(Br)cc(C)c1O ZINC000903339338 743839087 /nfs/dbraw/zinc/83/90/87/743839087.db2.gz YOBGZVGUUVAFHY-SNVBAGLBSA-N 0 1 354.248 3.056 20 10 FGCDMN Cc1nnccc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000570891087 505604348 /nfs/dbraw/zinc/60/43/48/505604348.db2.gz VJTDCUPGUOWHKG-UHFFFAOYSA-N 0 1 363.465 3.145 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000079438202 494455315 /nfs/dbraw/zinc/45/53/15/494455315.db2.gz CEZNTZHZBRYFBS-AWEZNQCLSA-N 0 1 368.412 3.156 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000079438202 494455319 /nfs/dbraw/zinc/45/53/19/494455319.db2.gz CEZNTZHZBRYFBS-AWEZNQCLSA-N 0 1 368.412 3.156 20 10 FGCDMN Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2O)N2CCCC2)o1 ZINC000102038191 495117483 /nfs/dbraw/zinc/11/74/83/495117483.db2.gz UEMCJDMBPDJMNO-KRWDZBQOSA-N 0 1 357.454 3.272 20 10 FGCDMN C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000154743640 495715053 /nfs/dbraw/zinc/71/50/53/495715053.db2.gz ZSPAUNOBAKDJFT-VFNWGFHPSA-N 0 1 368.296 3.364 20 10 FGCDMN C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000186027460 495827126 /nfs/dbraw/zinc/82/71/26/495827126.db2.gz CXZFWYJIQYUBGE-JTQLQIEISA-N 0 1 364.305 3.019 20 10 FGCDMN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc4ccccc4c3[O-])C2=O)n(C)n1 ZINC000186083268 495848440 /nfs/dbraw/zinc/84/84/40/495848440.db2.gz YQEMTAYZULVGJS-KSSFIOAISA-N 0 1 364.449 3.043 20 10 FGCDMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1O ZINC000186349796 495959660 /nfs/dbraw/zinc/95/96/60/495959660.db2.gz MBWDZYMHPAZYAR-SCLBCKFNSA-N 0 1 357.429 3.154 20 10 FGCDMN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186566103 496048823 /nfs/dbraw/zinc/04/88/23/496048823.db2.gz VOFHZWWWJVSLMA-OLZOCXBDSA-N 0 1 360.329 3.376 20 10 FGCDMN CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2cc(Br)ccc2[O-])C1 ZINC000156376430 496228425 /nfs/dbraw/zinc/22/84/25/496228425.db2.gz LHMREKVZXZQWMI-JSGCOSHPSA-N 0 1 355.276 3.206 20 10 FGCDMN CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000184982904 496610327 /nfs/dbraw/zinc/61/03/27/496610327.db2.gz FWVIBZSJUIYYFM-LBPRGKRZSA-N 0 1 369.303 3.452 20 10 FGCDMN COc1ccsc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O ZINC000268713324 496764982 /nfs/dbraw/zinc/76/49/82/496764982.db2.gz DXGJFEIPOUWSSR-LCYFTJDESA-N 0 1 354.522 3.052 20 10 FGCDMN C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000273396475 496793838 /nfs/dbraw/zinc/79/38/38/496793838.db2.gz LYXGLCVCKIGCKY-ZDUSSCGKSA-N 0 1 353.871 3.311 20 10 FGCDMN CCCN(Cc1ccccc1O)C(=O)CSc1n[nH]c(=S)s1 ZINC000269126367 496877098 /nfs/dbraw/zinc/87/70/98/496877098.db2.gz GHGZBRCJWCWZPM-UHFFFAOYSA-N 0 1 355.510 3.063 20 10 FGCDMN Nc1ccc(CC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000269227607 496899260 /nfs/dbraw/zinc/89/92/60/496899260.db2.gz OZXYTIPPVRMEJS-UHFFFAOYSA-N 0 1 361.449 3.003 20 10 FGCDMN CCN(CC)c1ccc(CN[C@](C)(CC(=O)OC)c2ccncc2)cc1 ZINC000191905439 496927350 /nfs/dbraw/zinc/92/73/50/496927350.db2.gz KBSJHDYDXSMDCW-OAQYLSRUSA-N 0 1 355.482 3.496 20 10 FGCDMN CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1 ZINC000270608479 497160074 /nfs/dbraw/zinc/16/00/74/497160074.db2.gz DNRAQBNFSJYEDR-CQSZACIVSA-N 0 1 356.474 3.089 20 10 FGCDMN Cc1cc(Br)cc(CN2CCC(NC(=O)C(C)C)CC2)c1O ZINC000271700170 497422737 /nfs/dbraw/zinc/42/27/37/497422737.db2.gz CMMVGICMSHDQLT-UHFFFAOYSA-N 0 1 369.303 3.200 20 10 FGCDMN COc1c([O-])c(C[NH2+]Cc2c(F)cccc2SC)ccc1[N+](=O)[O-] ZINC000289637265 498226759 /nfs/dbraw/zinc/22/67/59/498226759.db2.gz XHDKDWJJPBDEIE-UHFFFAOYSA-N 0 1 352.387 3.460 20 10 FGCDMN CCCOc1ccc(CN[C@H]2CCCc3cn(CCOC)nc32)c(O)c1 ZINC000368084053 499262265 /nfs/dbraw/zinc/26/22/65/499262265.db2.gz CESAFWFWEQATNA-SFHVURJKSA-N 0 1 359.470 3.191 20 10 FGCDMN CCn1ccnc1CN1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000371415890 499323657 /nfs/dbraw/zinc/32/36/57/499323657.db2.gz DKCUUJJSCHBATF-UHFFFAOYSA-N 0 1 364.493 3.470 20 10 FGCDMN Cc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(O)c1O ZINC000371670010 499353112 /nfs/dbraw/zinc/35/31/12/499353112.db2.gz JESCNCBZWZAADL-OAHLLOKOSA-N 0 1 364.405 3.169 20 10 FGCDMN CCCOc1ccc(CN2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC000372413347 499431802 /nfs/dbraw/zinc/43/18/02/499431802.db2.gz KLQZLPMWYJRUHM-UHFFFAOYSA-N 0 1 358.438 3.122 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](c3ncc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000373203494 499457176 /nfs/dbraw/zinc/45/71/76/499457176.db2.gz GCISAABZYZXLHH-CYBMUJFWSA-N 0 1 363.439 3.454 20 10 FGCDMN C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000373258502 499460247 /nfs/dbraw/zinc/46/02/47/499460247.db2.gz ZKVZOABAKRBUEO-JSGCOSHPSA-N 0 1 359.857 3.074 20 10 FGCDMN O=C(c1ccc[nH]1)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000378356106 499506181 /nfs/dbraw/zinc/50/61/81/499506181.db2.gz QVIDPKZZOWSZPB-UHFFFAOYSA-N 0 1 368.264 3.375 20 10 FGCDMN O=C(c1ccc[nH]1)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000378356106 499506182 /nfs/dbraw/zinc/50/61/82/499506182.db2.gz QVIDPKZZOWSZPB-UHFFFAOYSA-N 0 1 368.264 3.375 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000376507686 499613559 /nfs/dbraw/zinc/61/35/59/499613559.db2.gz XLWFJEOVKJPTLD-ZDUSSCGKSA-N 0 1 370.287 3.172 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000435614515 501002195 /nfs/dbraw/zinc/00/21/95/501002195.db2.gz FDTCPSBJENHOTJ-SJORKVTESA-N 0 1 369.509 3.044 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3C[C@H]2CS3)C1 ZINC000458332095 501422205 /nfs/dbraw/zinc/42/22/05/501422205.db2.gz LCUZMBDVASHSBZ-HOTGVXAUSA-N 0 1 369.534 3.124 20 10 FGCDMN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000472230052 502278266 /nfs/dbraw/zinc/27/82/66/502278266.db2.gz LPUOEVCKQHYKLH-RDJZCZTQSA-N 0 1 354.498 3.255 20 10 FGCDMN CCN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)[C@@H]1CCOC1 ZINC000462978135 502648757 /nfs/dbraw/zinc/64/87/57/502648757.db2.gz IRKGEZPRBGMJGJ-QGZVFWFLSA-N 0 1 369.509 3.045 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCSC2)C1 ZINC000552853052 504775751 /nfs/dbraw/zinc/77/57/51/504775751.db2.gz IBHLRWRWTJREMI-INIZCTEOSA-N 0 1 371.550 3.420 20 10 FGCDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739185183 603392594 /nfs/dbraw/zinc/39/25/94/603392594.db2.gz NYHRZRBPVZKBCQ-DOMZBBRYSA-N 0 1 358.438 3.495 20 10 FGCDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000833812803 605597537 /nfs/dbraw/zinc/59/75/37/605597537.db2.gz LROOWVJKENNVQW-GHMZBOCLSA-N 0 1 357.248 3.023 20 10 FGCDMN Oc1cc2c(cc1CNCc1cc(Br)ccc1F)OCO2 ZINC000042880410 695786398 /nfs/dbraw/zinc/78/63/98/695786398.db2.gz BTBXBFPGGVGBBQ-UHFFFAOYSA-N 0 1 354.175 3.312 20 10 FGCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000091832893 700426776 /nfs/dbraw/zinc/42/67/76/700426776.db2.gz WHVSLUCLEPWXDF-LBPRGKRZSA-N 0 1 352.232 3.226 20 10 FGCDMN C[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C[C@@H]1n1ccnc1 ZINC000091960582 700429492 /nfs/dbraw/zinc/42/94/92/700429492.db2.gz FVZKJCMLRRDUTI-WFASDCNBSA-N 0 1 350.260 3.434 20 10 FGCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1n1ccnc1 ZINC000091960202 700429653 /nfs/dbraw/zinc/42/96/53/700429653.db2.gz AFFNVBVASDYUGM-NHYWBVRUSA-N 0 1 350.806 3.233 20 10 FGCDMN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000092705926 700440323 /nfs/dbraw/zinc/44/03/23/700440323.db2.gz FSHXEWIQRYVKMV-ZDUSSCGKSA-N 0 1 369.303 3.139 20 10 FGCDMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000092705926 700440326 /nfs/dbraw/zinc/44/03/26/700440326.db2.gz FSHXEWIQRYVKMV-ZDUSSCGKSA-N 0 1 369.303 3.139 20 10 FGCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1C ZINC000127239410 700759212 /nfs/dbraw/zinc/75/92/12/700759212.db2.gz JXLDMGUCNYTAFF-UHFFFAOYSA-N 0 1 361.448 3.323 20 10 FGCDMN CC(C)c1nc([C@H]2COCCN2Cc2cc(Cl)cc(F)c2O)no1 ZINC000779614884 724419633 /nfs/dbraw/zinc/41/96/33/724419633.db2.gz DGANBTFJPZMJKV-CYBMUJFWSA-N 0 1 355.797 3.265 20 10 FGCDMN CN(CCOCC[NH2+]Cc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000705880589 722411961 /nfs/dbraw/zinc/41/19/61/722411961.db2.gz IGABKVVOTSQVDC-UHFFFAOYSA-N 0 1 358.866 3.019 20 10 FGCDMN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000734522189 722508201 /nfs/dbraw/zinc/50/82/01/722508201.db2.gz YKTZHHNDUBHPTE-GOSISDBHSA-N 0 1 360.527 3.225 20 10 FGCDMN CCN(CC)c1ccc(CN(C)C(=O)CCSc2nnc(C)[nH]2)cc1 ZINC000746105529 722593342 /nfs/dbraw/zinc/59/33/42/722593342.db2.gz YHVNPGNGFRDSJC-UHFFFAOYSA-N 0 1 361.515 3.100 20 10 FGCDMN C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000753733503 722910909 /nfs/dbraw/zinc/91/09/09/722910909.db2.gz VFFBROGWTVAISJ-NVXWUHKLSA-N 0 1 368.518 3.434 20 10 FGCDMN O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1c1c(F)cccc1F ZINC000756148993 722961282 /nfs/dbraw/zinc/96/12/82/722961282.db2.gz IQXVJILQEJZXPK-CQSZACIVSA-N 0 1 352.768 3.219 20 10 FGCDMN C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)cc1[O-] ZINC000756396227 722963907 /nfs/dbraw/zinc/96/39/07/722963907.db2.gz IEDPKPFKEIKVBB-JSGCOSHPSA-N 0 1 366.255 3.245 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1[O-] ZINC000756502694 722965794 /nfs/dbraw/zinc/96/57/94/722965794.db2.gz KSGVSSBSVCCDBM-KOLCDFICSA-N 0 1 367.209 3.442 20 10 FGCDMN CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000756582424 722967179 /nfs/dbraw/zinc/96/71/79/722967179.db2.gz INUUUXAFIIXHFW-LBTNJELSSA-N 0 1 356.457 3.458 20 10 FGCDMN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000756582414 722967189 /nfs/dbraw/zinc/96/71/89/722967189.db2.gz INUUUXAFIIXHFW-DEYYWGMASA-N 0 1 356.457 3.458 20 10 FGCDMN C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000756589927 722967308 /nfs/dbraw/zinc/96/73/08/722967308.db2.gz BYUVHVQEQLYFHB-LBPRGKRZSA-N 0 1 362.267 3.335 20 10 FGCDMN CN(C)[C@@H](CNC(=O)NCCCSc1nccs1)c1cccs1 ZINC000759118089 722999762 /nfs/dbraw/zinc/99/97/62/722999762.db2.gz SDVIJICMGMYPGK-LBPRGKRZSA-N 0 1 370.569 3.289 20 10 FGCDMN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)c1c[nH]cn1 ZINC000791384118 723237454 /nfs/dbraw/zinc/23/74/54/723237454.db2.gz DNRQJXKROVRDBV-UHFFFAOYSA-N 0 1 366.259 3.204 20 10 FGCDMN CN(C)c1ccc(CN2CCC(OCCCO)CC2)c(C(F)(F)F)c1 ZINC000792831058 723372538 /nfs/dbraw/zinc/37/25/38/723372538.db2.gz NKJLZMFYKSUTGZ-UHFFFAOYSA-N 0 1 360.420 3.135 20 10 FGCDMN CN(C)c1ccc(CN2CCS[C@@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000792841570 723373432 /nfs/dbraw/zinc/37/34/32/723373432.db2.gz AYUHKJONLQULFA-JKSUJKDBSA-N 0 1 360.445 3.478 20 10 FGCDMN Cc1cccc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1O ZINC000793613076 723455160 /nfs/dbraw/zinc/45/51/60/723455160.db2.gz JMPYQLZZUJANEV-HOTGVXAUSA-N 0 1 352.450 3.480 20 10 FGCDMN Cc1ccc([C@@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)c(O)c1 ZINC000794826194 723547999 /nfs/dbraw/zinc/54/79/99/723547999.db2.gz ASDMWTHCUONVHX-BDJLRTHQSA-N 0 1 363.255 3.340 20 10 FGCDMN COc1ccc(O)c(CNCc2c(C)nn(-c3ccccn3)c2Cl)c1 ZINC000796306033 723631906 /nfs/dbraw/zinc/63/19/06/723631906.db2.gz BKYJSZKIBIOKPG-UHFFFAOYSA-N 0 1 358.829 3.233 20 10 FGCDMN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000796588728 723645361 /nfs/dbraw/zinc/64/53/61/723645361.db2.gz XILPJFYCGPBZIW-OAHLLOKOSA-N 0 1 352.862 3.129 20 10 FGCDMN CCOc1ccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000768246914 723651795 /nfs/dbraw/zinc/65/17/95/723651795.db2.gz PTFYJCNUZOUPJO-UHFFFAOYSA-N 0 1 350.459 3.234 20 10 FGCDMN CN(C(=O)C[N@@H+](C)Cc1cccc(Br)c1[O-])C1CCCCC1 ZINC000768304035 723653493 /nfs/dbraw/zinc/65/34/93/723653493.db2.gz YVFLZTJTUZDAJL-UHFFFAOYSA-N 0 1 369.303 3.378 20 10 FGCDMN Cc1ccc(O)c(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 ZINC000769126001 723677530 /nfs/dbraw/zinc/67/75/30/723677530.db2.gz GHLXZNJZTQPCEH-UHFFFAOYSA-N 0 1 358.869 3.241 20 10 FGCDMN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000769401244 723684454 /nfs/dbraw/zinc/68/44/54/723684454.db2.gz DRLOIEMCIQFOKM-LLVKDONJSA-N 0 1 373.291 3.500 20 10 FGCDMN C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000769401244 723684455 /nfs/dbraw/zinc/68/44/55/723684455.db2.gz DRLOIEMCIQFOKM-LLVKDONJSA-N 0 1 373.291 3.500 20 10 FGCDMN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000769401244 723684456 /nfs/dbraw/zinc/68/44/56/723684456.db2.gz DRLOIEMCIQFOKM-LLVKDONJSA-N 0 1 373.291 3.500 20 10 FGCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797605686 723841594 /nfs/dbraw/zinc/84/15/94/723841594.db2.gz UPXAEMNPRMDXFS-XNJGSVPQSA-N 0 1 370.287 3.313 20 10 FGCDMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775292183 723977758 /nfs/dbraw/zinc/97/77/58/723977758.db2.gz ULLBOJUWIHGPQM-UHFFFAOYSA-N 0 1 367.398 3.044 20 10 FGCDMN CC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000775503448 723996643 /nfs/dbraw/zinc/99/66/43/723996643.db2.gz ISDVGEJCQVAYIS-WFASDCNBSA-N 0 1 358.276 3.249 20 10 FGCDMN CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775534126 723998708 /nfs/dbraw/zinc/99/87/08/723998708.db2.gz BXNJGHQGMZHIFB-RLCCDNCMSA-N 0 1 362.861 3.014 20 10 FGCDMN Cc1cc(Br)cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000775690779 724026191 /nfs/dbraw/zinc/02/61/91/724026191.db2.gz XFYLLLHCRKIWBL-YPMHNXCESA-N 0 1 368.193 3.351 20 10 FGCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776014387 724097230 /nfs/dbraw/zinc/09/72/30/724097230.db2.gz RINMFNCTZAWZHB-STQMWFEESA-N 0 1 362.253 3.242 20 10 FGCDMN COc1cccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c1O ZINC000776695929 724171678 /nfs/dbraw/zinc/17/16/78/724171678.db2.gz YJFOBWCTNKEXMC-ZIAGYGMSSA-N 0 1 350.459 3.231 20 10 FGCDMN COC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H]1CCCO1 ZINC000788618494 725076420 /nfs/dbraw/zinc/07/64/20/725076420.db2.gz GUSWCXQUDANNMU-ZOCIIQOWSA-N 0 1 368.905 3.021 20 10 FGCDMN C[C@H](NC(=O)c1cccs1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807834375 725171316 /nfs/dbraw/zinc/17/13/16/725171316.db2.gz LPCIOPPTPMAUSW-QMMMGPOBSA-N 0 1 373.261 3.195 20 10 FGCDMN CCCc1n[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000807837764 725171719 /nfs/dbraw/zinc/17/17/19/725171719.db2.gz BVOGRCBQVIDJLB-UHFFFAOYSA-N 0 1 373.196 3.213 20 10 FGCDMN CC(=O)Nc1ccc(O)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837599 725171819 /nfs/dbraw/zinc/17/18/19/725171819.db2.gz XGEUPOGXJCVSDE-UHFFFAOYSA-N 0 1 369.204 3.293 20 10 FGCDMN O=C(Cn1ccc(C(F)(F)F)n1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839589 725171974 /nfs/dbraw/zinc/17/19/74/725171974.db2.gz PFCMJEHANCSHJR-UHFFFAOYSA-N 0 1 368.142 3.231 20 10 FGCDMN CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809708758 725260935 /nfs/dbraw/zinc/26/09/35/725260935.db2.gz JAEUZSNEQHCKHI-ZDUSSCGKSA-N 0 1 371.275 3.207 20 10 FGCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000809718139 725262090 /nfs/dbraw/zinc/26/20/90/725262090.db2.gz REBKATMQPKTHCG-MRVPVSSYSA-N 0 1 367.081 3.384 20 10 FGCDMN CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225420 725297945 /nfs/dbraw/zinc/29/79/45/725297945.db2.gz CYHABFJPCJZQGY-ZWNOBZJWSA-N 0 1 353.406 3.275 20 10 FGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCSC1 ZINC000810631470 725318844 /nfs/dbraw/zinc/31/88/44/725318844.db2.gz UYLNTVLRPPOMTQ-CZUORRHYSA-N 0 1 368.930 3.269 20 10 FGCDMN Cn1nc2c(c1C[NH2+]Cc1cc(Br)ccc1[O-])CCCC2 ZINC000812773687 726809243 /nfs/dbraw/zinc/80/92/43/726809243.db2.gz MOBSRFSREKFBAM-UHFFFAOYSA-N 0 1 350.260 3.057 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@]1(O)CCc2ccccc2C1 ZINC000813684924 726905289 /nfs/dbraw/zinc/90/52/89/726905289.db2.gz RDBHJASDGZZKFK-SFHVURJKSA-N 0 1 366.244 3.235 20 10 FGCDMN COc1ccc(C[N@@H+](CCO)Cc2cc(Cl)c(F)cc2[O-])c(OC)c1 ZINC000816509046 727169664 /nfs/dbraw/zinc/16/96/64/727169664.db2.gz CINBAXMQZIXALD-UHFFFAOYSA-N 0 1 369.820 3.196 20 10 FGCDMN Oc1c(Br)cc(Br)cc1CN1CC[C@H](F)C1 ZINC000824571661 729348271 /nfs/dbraw/zinc/34/82/71/729348271.db2.gz PGQZNAGJTYNLJA-VIFPVBQESA-N 0 1 353.029 3.461 20 10 FGCDMN Cn1cc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CC23CCOCC3)cn1 ZINC000824715861 729356391 /nfs/dbraw/zinc/35/63/91/729356391.db2.gz PSLKWMPHYCZTNG-INIZCTEOSA-N 0 1 361.873 3.175 20 10 FGCDMN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824906992 729364597 /nfs/dbraw/zinc/36/45/97/729364597.db2.gz ULHDFQGBBOUCNN-AWEZNQCLSA-N 0 1 350.260 3.398 20 10 FGCDMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824906992 729364599 /nfs/dbraw/zinc/36/45/99/729364599.db2.gz ULHDFQGBBOUCNN-AWEZNQCLSA-N 0 1 350.260 3.398 20 10 FGCDMN COc1cc(Br)cc(CN[C@H]2C[C@H](C)n3ccnc32)c1O ZINC000825016762 729367990 /nfs/dbraw/zinc/36/79/90/729367990.db2.gz HRLYSTGQYIZIRE-CABZTGNLSA-N 0 1 352.232 3.155 20 10 FGCDMN COc1ccccc1OCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825037968 729368742 /nfs/dbraw/zinc/36/87/42/729368742.db2.gz MMOVQAIZGRWOFH-UHFFFAOYSA-N 0 1 352.228 3.332 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000825070574 729369739 /nfs/dbraw/zinc/36/97/39/729369739.db2.gz HSQKYSZNJTZQAZ-CYBMUJFWSA-N 0 1 350.212 3.084 20 10 FGCDMN C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccc(Br)cc2[O-])C[C@H](C)O1 ZINC000825070340 729369753 /nfs/dbraw/zinc/36/97/53/729369753.db2.gz BSKGHRPWKWEQLZ-BETUJISGSA-N 0 1 371.319 3.132 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000825070575 729369785 /nfs/dbraw/zinc/36/97/85/729369785.db2.gz HSQKYSZNJTZQAZ-ZDUSSCGKSA-N 0 1 350.212 3.084 20 10 FGCDMN COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825557259 729387684 /nfs/dbraw/zinc/38/76/84/729387684.db2.gz ZGDVBNFRPZPTDN-LLVKDONJSA-N 0 1 371.275 3.111 20 10 FGCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C[C@@H](O)Cc1ccccc1 ZINC000826003859 729402016 /nfs/dbraw/zinc/40/20/16/729402016.db2.gz XYNAMZXGDDNDTM-INIZCTEOSA-N 0 1 350.256 3.190 20 10 FGCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C[C@@H](O)Cc1ccccc1 ZINC000826003859 729402017 /nfs/dbraw/zinc/40/20/17/729402017.db2.gz XYNAMZXGDDNDTM-INIZCTEOSA-N 0 1 350.256 3.190 20 10 FGCDMN CCc1nc(SCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)n[nH]1 ZINC000828946324 729450069 /nfs/dbraw/zinc/45/00/69/729450069.db2.gz DUIXTZRAEBYGPF-UHFFFAOYSA-N 0 1 359.430 3.284 20 10 FGCDMN CCc1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)n1 ZINC000828946324 729450070 /nfs/dbraw/zinc/45/00/70/729450070.db2.gz DUIXTZRAEBYGPF-UHFFFAOYSA-N 0 1 359.430 3.284 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c(Cl)c1 ZINC000840879041 730187168 /nfs/dbraw/zinc/18/71/68/730187168.db2.gz BTRGVMUGZZVTRJ-UHFFFAOYSA-N 0 1 362.857 3.111 20 10 FGCDMN COc1cc(F)cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000841494523 730248972 /nfs/dbraw/zinc/24/89/72/730248972.db2.gz CEBHWYHTFLPXBW-DHDCSXOGSA-N 0 1 366.483 3.130 20 10 FGCDMN C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1[O-] ZINC000841751496 730270697 /nfs/dbraw/zinc/27/06/97/730270697.db2.gz NITFMOLCQFJMRS-NSHDSACASA-N 0 1 374.915 3.078 20 10 FGCDMN CCOCc1cc(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)ccc1OC ZINC000843306521 730606929 /nfs/dbraw/zinc/60/69/29/730606929.db2.gz SYXBEYIFEUVXQT-NSHDSACASA-N 0 1 350.440 3.237 20 10 FGCDMN COC(=O)c1nc(CN[C@@H](C)c2cc(OC)ccc2O)ccc1Cl ZINC000850512556 731366925 /nfs/dbraw/zinc/36/69/25/731366925.db2.gz HHHTVHBAFQVTKU-JTQLQIEISA-N 0 1 350.802 3.087 20 10 FGCDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000857866676 732164584 /nfs/dbraw/zinc/16/45/84/732164584.db2.gz DRXYJEHPSNPRJH-PELKAZGASA-N 0 1 354.237 3.404 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000858165900 732188412 /nfs/dbraw/zinc/18/84/12/732188412.db2.gz RFQBLXODSOHQJE-MAUKXSAKSA-N 0 1 362.267 3.411 20 10 FGCDMN CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000858508215 732221799 /nfs/dbraw/zinc/22/17/99/732221799.db2.gz MGVMVYWRIWPDGB-GWCFXTLKSA-N 0 1 354.244 3.457 20 10 FGCDMN C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1[O-] ZINC000858564201 732227305 /nfs/dbraw/zinc/22/73/05/732227305.db2.gz HODFNXKLNKYLRF-LLVKDONJSA-N 0 1 362.813 3.106 20 10 FGCDMN C[C@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c2c1c(F)ccc2[O-] ZINC000872118662 735591356 /nfs/dbraw/zinc/59/13/56/735591356.db2.gz FGXQZCBZQYBPSZ-HHQTYALHSA-N 0 1 353.459 3.025 20 10 FGCDMN COC(=O)c1cc(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000877704549 736708757 /nfs/dbraw/zinc/70/87/57/736708757.db2.gz QOSQIOXRBNHWEE-UHFFFAOYSA-N 0 1 350.802 3.200 20 10 FGCDMN CCN(CC(=O)Nc1ccccc1OC)Cc1cc(F)cc(F)c1O ZINC000893863322 742206856 /nfs/dbraw/zinc/20/68/56/742206856.db2.gz FOWVGRHJJXAKMZ-UHFFFAOYSA-N 0 1 350.365 3.140 20 10 FGCDMN COC(=O)c1c(CNCc2sc(C)nc2C)c2cc(F)ccc2n1C ZINC000894308698 742265804 /nfs/dbraw/zinc/26/58/04/742265804.db2.gz UILCBMFEIIREQS-UHFFFAOYSA-N 0 1 361.442 3.467 20 10 FGCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@@]2(CCSC2)C1 ZINC000895076274 742371891 /nfs/dbraw/zinc/37/18/91/742371891.db2.gz NXXWLDSFYDUPPV-AWEZNQCLSA-N 0 1 362.264 3.002 20 10 FGCDMN C[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000927105579 759892784 /nfs/dbraw/zinc/89/27/84/759892784.db2.gz UCCKSOIXBDQRFX-WFASDCNBSA-N 0 1 369.303 3.059 20 10 FGCDMN Cc1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n(C)n1 ZINC000580150269 505688700 /nfs/dbraw/zinc/68/87/00/505688700.db2.gz RQULLKSKJKHUBC-UHFFFAOYSA-N 0 1 365.481 3.088 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1[O-] ZINC000091631587 494634473 /nfs/dbraw/zinc/63/44/73/494634473.db2.gz AEZSECKXJDDBJS-CYBMUJFWSA-N 0 1 358.417 3.040 20 10 FGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1[O-] ZINC000091631587 494634480 /nfs/dbraw/zinc/63/44/80/494634480.db2.gz AEZSECKXJDDBJS-CYBMUJFWSA-N 0 1 358.417 3.040 20 10 FGCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nncn3C3CC3)C2)c1O ZINC000091631587 494634487 /nfs/dbraw/zinc/63/44/87/494634487.db2.gz AEZSECKXJDDBJS-CYBMUJFWSA-N 0 1 358.417 3.040 20 10 FGCDMN CCOc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O ZINC000124146320 495241303 /nfs/dbraw/zinc/24/13/03/495241303.db2.gz SPKPMTOWJJKUSN-QGZVFWFLSA-N 0 1 370.497 3.488 20 10 FGCDMN CCOc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O ZINC000124146067 495241518 /nfs/dbraw/zinc/24/15/18/495241518.db2.gz SPKPMTOWJJKUSN-KRWDZBQOSA-N 0 1 370.497 3.488 20 10 FGCDMN C[C@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1nnc[nH]1 ZINC000182500394 495587291 /nfs/dbraw/zinc/58/72/91/495587291.db2.gz GDESDRVJOWDQNL-AWEZNQCLSA-N 0 1 356.474 3.134 20 10 FGCDMN COCCOC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183106608 495836824 /nfs/dbraw/zinc/83/68/24/495836824.db2.gz MXLAKZRRMPWQNO-IBGZPJMESA-N 0 1 371.477 3.456 20 10 FGCDMN CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cc(Br)ccc1[O-] ZINC000155710899 496042453 /nfs/dbraw/zinc/04/24/53/496042453.db2.gz CJASKANVNMMYIH-MRXNPFEDSA-N 0 1 369.303 3.454 20 10 FGCDMN Cc1cccc2nc(CCC(=O)N3CCOc4cc(N(C)C)ccc43)[nH]c21 ZINC000177658793 496149978 /nfs/dbraw/zinc/14/99/78/496149978.db2.gz OGENVPQSZIEKOD-UHFFFAOYSA-N 0 1 364.449 3.296 20 10 FGCDMN CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2cc(Br)ccc2[O-])C1 ZINC000156376310 496228316 /nfs/dbraw/zinc/22/83/16/496228316.db2.gz LHMREKVZXZQWMI-TZMCWYRMSA-N 0 1 355.276 3.206 20 10 FGCDMN CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1cc(Br)ccc1[O-] ZINC000156562842 496280258 /nfs/dbraw/zinc/28/02/58/496280258.db2.gz NWYVADGRUWKSSF-ZWNOBZJWSA-N 0 1 364.305 3.019 20 10 FGCDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268877802 496811349 /nfs/dbraw/zinc/81/13/49/496811349.db2.gz QPZPYPVPRXZSEM-KFWWJZLASA-N 0 1 360.477 3.332 20 10 FGCDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268877808 496811520 /nfs/dbraw/zinc/81/15/20/496811520.db2.gz QPZPYPVPRXZSEM-QLFBSQMISA-N 0 1 360.477 3.332 20 10 FGCDMN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1 ZINC000269309923 496916382 /nfs/dbraw/zinc/91/63/82/496916382.db2.gz JGPQTIZTESMPSN-AWEZNQCLSA-N 0 1 355.486 3.089 20 10 FGCDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278321324 497073133 /nfs/dbraw/zinc/07/31/33/497073133.db2.gz YAOPKYFBZHXONP-CYBMUJFWSA-N 0 1 358.394 3.307 20 10 FGCDMN COc1cccc(CNCc2c(Cl)cccc2N2CCOCC2)c1O ZINC000295993766 497882901 /nfs/dbraw/zinc/88/29/01/497882901.db2.gz KIPOAIKQORGTME-UHFFFAOYSA-N 0 1 362.857 3.181 20 10 FGCDMN Cn1c(Cl)cnc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000281756995 498259328 /nfs/dbraw/zinc/25/93/28/498259328.db2.gz RJYQSCCQUFUPQK-LBPRGKRZSA-N 0 1 370.831 3.434 20 10 FGCDMN COc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)c1 ZINC000360792119 498311285 /nfs/dbraw/zinc/31/12/85/498311285.db2.gz JWCLOXTZWFQXFG-ZDUSSCGKSA-N 0 1 361.467 3.016 20 10 FGCDMN COCC1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CCOCC1 ZINC000293385214 498367826 /nfs/dbraw/zinc/36/78/26/498367826.db2.gz IMJWYQPIDHNTIW-LBPRGKRZSA-N 0 1 358.276 3.249 20 10 FGCDMN O=C(c1cccc(O)c1)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000361613868 498412547 /nfs/dbraw/zinc/41/25/47/498412547.db2.gz TXWQTNWDJQLVLJ-UHFFFAOYSA-N 0 1 360.841 3.146 20 10 FGCDMN COc1cc(Br)cc(CN2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000365613807 498558816 /nfs/dbraw/zinc/55/88/16/498558816.db2.gz CWLFVSPKEPIQPF-CQSZACIVSA-N 0 1 366.259 3.115 20 10 FGCDMN Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000282566964 498561565 /nfs/dbraw/zinc/56/15/65/498561565.db2.gz DZRSEJXPTZHJEA-UHFFFAOYSA-N 0 1 353.445 3.379 20 10 FGCDMN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000372811815 499178499 /nfs/dbraw/zinc/17/84/99/499178499.db2.gz LAGDSMVGZOKLRE-LRDDRELGSA-N 0 1 353.825 3.006 20 10 FGCDMN COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799042 499333858 /nfs/dbraw/zinc/33/38/58/499333858.db2.gz UMZYBYHUBKCAPX-HOTGVXAUSA-N 0 1 366.465 3.459 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528040 499529026 /nfs/dbraw/zinc/52/90/26/499529026.db2.gz HRQOHGUSDLXVQS-QMTMVMCOSA-N 0 1 364.442 3.215 20 10 FGCDMN Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000377087915 499660653 /nfs/dbraw/zinc/66/06/53/499660653.db2.gz DWVHPMZYVCMQHV-LLVKDONJSA-N 0 1 354.237 3.169 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCSCC2)C1 ZINC000444030587 500794725 /nfs/dbraw/zinc/79/47/25/500794725.db2.gz KWQQOYHDESJKRL-UHFFFAOYSA-N 0 1 371.550 3.373 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccoc2)C1 ZINC000435855452 501037582 /nfs/dbraw/zinc/03/75/82/501037582.db2.gz KJEMNMKWTOTVIL-UHFFFAOYSA-N 0 1 351.450 3.317 20 10 FGCDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000529701908 503665946 /nfs/dbraw/zinc/66/59/46/503665946.db2.gz LKVZDGGYQDAZEG-GOSISDBHSA-N 0 1 354.450 3.080 20 10 FGCDMN Cc1conc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000562469398 504830582 /nfs/dbraw/zinc/83/05/82/504830582.db2.gz IZJUSWAVBMKEER-UHFFFAOYSA-N 0 1 352.438 3.343 20 10 FGCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820426467 599395996 /nfs/dbraw/zinc/39/59/96/599395996.db2.gz KGMNQWSGANJUOX-JTQLQIEISA-N 0 1 374.242 3.186 20 10 FGCDMN COC(=O)[C@@H](C)C[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CC1 ZINC000737565440 599935608 /nfs/dbraw/zinc/93/56/08/599935608.db2.gz XIQGIKIGNULAIM-LBPRGKRZSA-N 0 1 357.406 3.017 20 10 FGCDMN O=C([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000740076452 600314208 /nfs/dbraw/zinc/31/42/08/600314208.db2.gz YVQOZMUKRSDMAU-KRWDZBQOSA-N 0 1 359.397 3.411 20 10 FGCDMN C[C@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H](C(F)(F)F)O1 ZINC000828455732 601055018 /nfs/dbraw/zinc/05/50/18/601055018.db2.gz FOPHAPWFBGPHDJ-ZUZCIYMTSA-N 0 1 369.339 3.395 20 10 FGCDMN C[C@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H](C(F)(F)F)O1 ZINC000828455732 601055020 /nfs/dbraw/zinc/05/50/20/601055020.db2.gz FOPHAPWFBGPHDJ-ZUZCIYMTSA-N 0 1 369.339 3.395 20 10 FGCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829496897 604770548 /nfs/dbraw/zinc/77/05/48/604770548.db2.gz URLUYSGKNGZGBL-LJQANCHMSA-N 0 1 359.422 3.447 20 10 FGCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833695762 605041482 /nfs/dbraw/zinc/04/14/82/605041482.db2.gz VSSTYVNRNKMOHU-IBGZPJMESA-N 0 1 374.868 3.434 20 10 FGCDMN CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Br)ccc1[O-] ZINC000037781993 695755240 /nfs/dbraw/zinc/75/52/40/695755240.db2.gz NHDMNELAUURJKC-SMDDNHRTSA-N 0 1 355.276 3.206 20 10 FGCDMN CC[C@@H](C)NC(=O)[C@@H](C)N(CC)Cc1cc(Br)ccc1O ZINC000076118562 700224750 /nfs/dbraw/zinc/22/47/50/700224750.db2.gz HJLZAOAAYBCVNF-VXGBXAGGSA-N 0 1 357.292 3.280 20 10 FGCDMN Oc1cccc([C@H]2CN(Cc3cccc(Br)c3O)CCO2)c1 ZINC000093457873 700451663 /nfs/dbraw/zinc/45/16/63/700451663.db2.gz PESMDQYKQVEKPM-MRXNPFEDSA-N 0 1 364.239 3.434 20 10 FGCDMN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc2c(c1)CCCN2C ZINC000122256202 700686831 /nfs/dbraw/zinc/68/68/31/700686831.db2.gz ZULHBIOFDXQXSQ-MRXNPFEDSA-N 0 1 358.507 3.021 20 10 FGCDMN CCN1CCN(c2ccc(CNC(=O)CCCCSC)cc2F)CC1 ZINC000151732383 704935195 /nfs/dbraw/zinc/93/51/95/704935195.db2.gz CNZHATNOSLRUNZ-UHFFFAOYSA-N 0 1 367.534 3.117 20 10 FGCDMN COCCO[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000802652042 724397517 /nfs/dbraw/zinc/39/75/17/724397517.db2.gz IUTQMERVILXUNU-CQSZACIVSA-N 0 1 358.276 3.091 20 10 FGCDMN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC000779192133 724398859 /nfs/dbraw/zinc/39/88/59/724398859.db2.gz GDCZEIFOYBJCKT-NSHDSACASA-N 0 1 356.182 3.208 20 10 FGCDMN C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H](C(F)(F)F)O1 ZINC000769494929 723687280 /nfs/dbraw/zinc/68/72/80/723687280.db2.gz BOAGTVDKIDDQMD-LDYMZIIASA-N 0 1 354.166 3.306 20 10 FGCDMN COc1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC000804902906 724562423 /nfs/dbraw/zinc/56/24/23/724562423.db2.gz WULDSDQQEHCHNN-UHFFFAOYSA-N 0 1 356.209 3.102 20 10 FGCDMN CCCCNC(=O)[C@@H](C)N(CC)Cc1cc(Br)ccc1O ZINC000743871098 722572144 /nfs/dbraw/zinc/57/21/44/722572144.db2.gz QORDJESXFDJEQQ-GFCCVEGCSA-N 0 1 357.292 3.281 20 10 FGCDMN COc1ccccc1C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756310181 722962710 /nfs/dbraw/zinc/96/27/10/722962710.db2.gz JIERXIWIYNOBNW-LBPRGKRZSA-N 0 1 367.804 3.226 20 10 FGCDMN C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000756383961 722963736 /nfs/dbraw/zinc/96/37/36/722963736.db2.gz MBNHMRTZQPFURJ-LLVKDONJSA-N 0 1 354.859 3.268 20 10 FGCDMN C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Br)cc1[O-] ZINC000756396226 722963956 /nfs/dbraw/zinc/96/39/56/722963956.db2.gz IEDPKPFKEIKVBB-GXTWGEPZSA-N 0 1 366.255 3.245 20 10 FGCDMN C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000756589920 722967294 /nfs/dbraw/zinc/96/72/94/722967294.db2.gz BYUVHVQEQLYFHB-GFCCVEGCSA-N 0 1 362.267 3.335 20 10 FGCDMN Oc1ccc(Cl)c(F)c1CNCc1ncn(Cc2cccc(F)c2)n1 ZINC000790990923 723202929 /nfs/dbraw/zinc/20/29/29/723202929.db2.gz HOWXKBXWBDZWRV-UHFFFAOYSA-N 0 1 364.783 3.253 20 10 FGCDMN O=C1CN(Cc2c(O)ccc(Cl)c2F)CCN1Cc1cccc(F)c1 ZINC000792164634 723316921 /nfs/dbraw/zinc/31/69/21/723316921.db2.gz AZAWSLYNPORJMI-UHFFFAOYSA-N 0 1 366.795 3.168 20 10 FGCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000792166325 723317347 /nfs/dbraw/zinc/31/73/47/723317347.db2.gz WQXVWWDIGYQNFZ-ZDUSSCGKSA-N 0 1 353.781 3.019 20 10 FGCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H](COc2ccccc2)C1 ZINC000792185303 723319286 /nfs/dbraw/zinc/31/92/86/723319286.db2.gz DEXSAOIHKKHUAL-AWEZNQCLSA-N 0 1 351.805 3.465 20 10 FGCDMN O=C1CN(Cc2cccc(Br)c2O)CCN1c1ccccc1 ZINC000765715930 723534808 /nfs/dbraw/zinc/53/48/08/723534808.db2.gz ZKZCTAQMTZWJJR-UHFFFAOYSA-N 0 1 361.239 3.004 20 10 FGCDMN Cc1ccc([C@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)c(O)c1 ZINC000794826197 723547951 /nfs/dbraw/zinc/54/79/51/723547951.db2.gz ASDMWTHCUONVHX-MEDUHNTESA-N 0 1 363.255 3.340 20 10 FGCDMN Cc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000767885617 723638161 /nfs/dbraw/zinc/63/81/61/723638161.db2.gz ATLXXOHJJRIMHP-NTEUORMPSA-N 0 1 357.207 3.219 20 10 FGCDMN O=C(CCc1ccco1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768910806 723671921 /nfs/dbraw/zinc/67/19/21/723671921.db2.gz ABYTYTNYBCGEIX-INIZCTEOSA-N 0 1 362.857 3.352 20 10 FGCDMN C[C@@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000773625045 723806895 /nfs/dbraw/zinc/80/68/95/723806895.db2.gz PBPVHJMJQQHVRW-PBHICJAKSA-N 0 1 360.527 3.477 20 10 FGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000775145059 723963724 /nfs/dbraw/zinc/96/37/24/723963724.db2.gz HOQHEJWIZFAAPI-SDBXPKJASA-N 0 1 368.739 3.089 20 10 FGCDMN CC[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775555992 723999792 /nfs/dbraw/zinc/99/97/92/723999792.db2.gz UEIVUVDXMOUZSA-HZPDHXFCSA-N 0 1 372.303 3.373 20 10 FGCDMN COc1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cn1 ZINC000799637757 724073314 /nfs/dbraw/zinc/07/33/14/724073314.db2.gz AVKBZNFFKLQUSD-UHFFFAOYSA-N 0 1 361.467 3.127 20 10 FGCDMN CCN(CC)c1ccc(CNCc2cc(Br)nn2C)cc1 ZINC000785426281 724911690 /nfs/dbraw/zinc/91/16/90/724911690.db2.gz MEFYNIPLYZPMGT-UHFFFAOYSA-N 0 1 351.292 3.319 20 10 FGCDMN Cc1nn(C)cc1[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805059800 725047384 /nfs/dbraw/zinc/04/73/84/725047384.db2.gz FSRXMTGQYADQKD-QMMMGPOBSA-N 0 1 357.241 3.301 20 10 FGCDMN NC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806170051 725119397 /nfs/dbraw/zinc/11/93/97/725119397.db2.gz VYIPLMJUSYQTJM-UHFFFAOYSA-N 0 1 354.193 3.120 20 10 FGCDMN Cc1ccc(F)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807511695 725162202 /nfs/dbraw/zinc/16/22/02/725162202.db2.gz SNFYZRHIXFHHQC-UHFFFAOYSA-N 0 1 371.195 3.401 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1COc2ccccc2O1 ZINC000807834522 725171349 /nfs/dbraw/zinc/17/13/49/725171349.db2.gz MVZRMYWBCXTYCB-AWEZNQCLSA-N 0 1 354.189 3.155 20 10 FGCDMN CCOC(=O)C1(CC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000807837493 725171780 /nfs/dbraw/zinc/17/17/80/725171780.db2.gz RVZPKQOGIBBYRR-UHFFFAOYSA-N 0 1 360.237 3.439 20 10 FGCDMN C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(Br)cc1[O-] ZINC000808729582 725215088 /nfs/dbraw/zinc/21/50/88/725215088.db2.gz MHZLASGUOBPYLK-RMLVOYDJSA-N 0 1 364.239 3.300 20 10 FGCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)c1 ZINC000811518310 725372229 /nfs/dbraw/zinc/37/22/29/725372229.db2.gz JMPFHCDDYKCGFK-AWEZNQCLSA-N 0 1 350.260 3.415 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000814298605 726954327 /nfs/dbraw/zinc/95/43/27/726954327.db2.gz YIFIEJXCBMANOE-UHFFFAOYSA-N 0 1 359.227 3.025 20 10 FGCDMN O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1O ZINC000816484453 727166850 /nfs/dbraw/zinc/16/68/50/727166850.db2.gz CQFPDCFGJOKNLR-HNNXBMFYSA-N 0 1 352.793 3.059 20 10 FGCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482550 727166867 /nfs/dbraw/zinc/16/68/67/727166867.db2.gz KBHXSVBNQHUSJB-SNVBAGLBSA-N 0 1 372.849 3.025 20 10 FGCDMN CN(Cc1cccs1)c1ccc(CN2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000823423410 729279209 /nfs/dbraw/zinc/27/92/09/729279209.db2.gz IAWJKTPFMJVBLD-GOSISDBHSA-N 0 1 355.507 3.191 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000824645295 729352613 /nfs/dbraw/zinc/35/26/13/729352613.db2.gz DLCGFNBHAHLRDK-INIZCTEOSA-N 0 1 370.287 3.315 20 10 FGCDMN COc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])c(OC)c1 ZINC000825126635 729372082 /nfs/dbraw/zinc/37/20/82/729372082.db2.gz RGQPAGRMRJPHIE-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825277741 729376890 /nfs/dbraw/zinc/37/68/90/729376890.db2.gz FKOCBMOSKOXEAY-WBMJQRKESA-N 0 1 350.256 3.409 20 10 FGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1Cl ZINC000825384697 729381136 /nfs/dbraw/zinc/38/11/36/729381136.db2.gz HSMMBXFLJUNMFG-ZDUSSCGKSA-N 0 1 357.841 3.242 20 10 FGCDMN Cc1cc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1Cl ZINC000825692031 729391611 /nfs/dbraw/zinc/39/16/11/729391611.db2.gz FOHOHGQQGBCTGT-UHFFFAOYSA-N 0 1 374.934 3.036 20 10 FGCDMN Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc(Br)cc1[O-] ZINC000826142546 729405947 /nfs/dbraw/zinc/40/59/47/729405947.db2.gz FDCFTMFQWUMCRW-AWEZNQCLSA-N 0 1 363.255 3.021 20 10 FGCDMN CN(C)c1ccc(CN2CCC3=C(CCC(=O)N3)C2)c(C(F)(F)F)c1 ZINC000826784121 729415053 /nfs/dbraw/zinc/41/50/53/729415053.db2.gz ATDWNMOFJRLKQU-UHFFFAOYSA-N 0 1 353.388 3.141 20 10 FGCDMN COC(=O)NC1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000827929581 729437324 /nfs/dbraw/zinc/43/73/24/729437324.db2.gz NMILFPZKAVVKDM-UHFFFAOYSA-N 0 1 359.392 3.092 20 10 FGCDMN CC[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)F)cc1[O-] ZINC000834888086 729843063 /nfs/dbraw/zinc/84/30/63/729843063.db2.gz MVBGNPHTJHLZOY-LZWOXQAQSA-N 0 1 358.404 3.315 20 10 FGCDMN O=C(NCc1nnc(C2CC2)s1)NCc1cc(Cl)cc(Cl)c1O ZINC000840475112 730147883 /nfs/dbraw/zinc/14/78/83/730147883.db2.gz SYSLVUCWEYFBBK-UHFFFAOYSA-N 0 1 373.265 3.427 20 10 FGCDMN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000840974872 730200059 /nfs/dbraw/zinc/20/00/59/730200059.db2.gz PIVCGXFHOFJTKT-HNNXBMFYSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC000840974872 730200062 /nfs/dbraw/zinc/20/00/62/730200062.db2.gz PIVCGXFHOFJTKT-HNNXBMFYSA-N 0 1 367.287 3.132 20 10 FGCDMN CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCOCC1 ZINC000842740599 730538203 /nfs/dbraw/zinc/53/82/03/730538203.db2.gz RLHBDKFGGKUJTB-UHFFFAOYSA-N 0 1 355.862 3.274 20 10 FGCDMN C[C@H](NCc1ccc(OCC(F)(F)F)nn1)c1ccc(N(C)C)cc1 ZINC000846856929 730988196 /nfs/dbraw/zinc/98/81/96/730988196.db2.gz FMOVEQVNTNROKZ-LBPRGKRZSA-N 0 1 354.376 3.335 20 10 FGCDMN COC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2[O-])c(C)o1 ZINC000848911763 731219882 /nfs/dbraw/zinc/21/98/82/731219882.db2.gz YSIRAEBOKPNDEZ-UHFFFAOYSA-N 0 1 354.200 3.133 20 10 FGCDMN [O-]c1c(Br)cccc1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000849351901 731251793 /nfs/dbraw/zinc/25/17/93/731251793.db2.gz FBZVCCXSAFWQJC-MRXNPFEDSA-N 0 1 363.255 3.428 20 10 FGCDMN Cc1nc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c1C ZINC000850163974 731327754 /nfs/dbraw/zinc/32/77/54/731327754.db2.gz JLDIGMYWIQLVCN-AWEZNQCLSA-N 0 1 350.413 3.387 20 10 FGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000850352828 731347091 /nfs/dbraw/zinc/34/70/91/731347091.db2.gz JLBSUNPQKYQROH-UHFFFAOYSA-N 0 1 362.271 3.440 20 10 FGCDMN Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000850384970 731350789 /nfs/dbraw/zinc/35/07/89/731350789.db2.gz VSUQINUJAWWUDF-CJNGLKHVSA-N 0 1 364.287 3.389 20 10 FGCDMN COC(=O)c1nc(CN[C@H](C)c2cccc(OC)c2O)ccc1Cl ZINC000850516557 731367425 /nfs/dbraw/zinc/36/74/25/731367425.db2.gz WYYOUUXTTJVTAZ-SNVBAGLBSA-N 0 1 350.802 3.087 20 10 FGCDMN C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc(Br)cc1[O-] ZINC000850557065 731372699 /nfs/dbraw/zinc/37/26/99/731372699.db2.gz KPJQNZYIISRDQT-WFASDCNBSA-N 0 1 369.303 3.059 20 10 FGCDMN CC[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(Cl)ccc1[O-] ZINC000850559987 731373046 /nfs/dbraw/zinc/37/30/46/731373046.db2.gz BFQDZKRBALABQS-HOCLYGCPSA-N 0 1 351.878 3.376 20 10 FGCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Br)c1ccc(F)cc1F ZINC000858137117 732184585 /nfs/dbraw/zinc/18/45/85/732184585.db2.gz GNGLRWJNODVRGA-MRXNPFEDSA-N 0 1 372.209 3.430 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000858195095 732191296 /nfs/dbraw/zinc/19/12/96/732191296.db2.gz RKQSUVMCZSRVQW-UHFFFAOYSA-N 0 1 350.203 3.185 20 10 FGCDMN COc1ccc(CNCc2cc(C)ccc2O)c(Br)c1O ZINC000858239331 732196012 /nfs/dbraw/zinc/19/60/12/732196012.db2.gz LVBTUTPATLCEPW-UHFFFAOYSA-N 0 1 352.228 3.467 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000862315688 732807552 /nfs/dbraw/zinc/80/75/52/732807552.db2.gz DSGZCFVZEDLZEU-ZDUSSCGKSA-N 0 1 370.287 3.172 20 10 FGCDMN Oc1cccc(Br)c1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000862371562 732818693 /nfs/dbraw/zinc/81/86/93/732818693.db2.gz HWLASNWHKWZOFL-NSHDSACASA-N 0 1 356.651 3.452 20 10 FGCDMN CCc1cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794423 735677663 /nfs/dbraw/zinc/67/76/63/735677663.db2.gz IXARGXYXAIRMPF-DOTOQJQBSA-N 0 1 365.539 3.119 20 10 FGCDMN COCCc1ncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000876531718 736109863 /nfs/dbraw/zinc/10/98/63/736109863.db2.gz NCWCFSLYPJOLHF-INIZCTEOSA-N 0 1 362.495 3.219 20 10 FGCDMN COc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sn1 ZINC000876946880 736166441 /nfs/dbraw/zinc/16/64/41/736166441.db2.gz XFRARYGAPBARDP-CHWSQXEVSA-N 0 1 365.474 3.194 20 10 FGCDMN COc1cc(CNCc2ccc(N3CCOCC3)cc2)c(Cl)cc1O ZINC000876963392 736168376 /nfs/dbraw/zinc/16/83/76/736168376.db2.gz AIZDRJXXHQXSBJ-UHFFFAOYSA-N 0 1 362.857 3.181 20 10 FGCDMN C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000880003997 737096391 /nfs/dbraw/zinc/09/63/91/737096391.db2.gz PPZXVHKDWPRMID-CLAHSXSESA-N 0 1 354.237 3.404 20 10 FGCDMN Oc1c(F)cc(F)cc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000894089509 742237531 /nfs/dbraw/zinc/23/75/31/742237531.db2.gz UMKVTZUSGCOFCZ-DZGCQCFKSA-N 0 1 355.406 3.056 20 10 FGCDMN C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894107767 742240037 /nfs/dbraw/zinc/24/00/37/742240037.db2.gz QUGFUWJQVQOBOJ-HIFRSBDPSA-N 0 1 365.905 3.498 20 10 FGCDMN C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894107767 742240038 /nfs/dbraw/zinc/24/00/38/742240038.db2.gz QUGFUWJQVQOBOJ-HIFRSBDPSA-N 0 1 365.905 3.498 20 10 FGCDMN CCOC(=O)c1ncc(CNCc2cc(Br)ccc2O)s1 ZINC000894432232 742282834 /nfs/dbraw/zinc/28/28/34/742282834.db2.gz NCCAFXDUZHZMPN-UHFFFAOYSA-N 0 1 371.256 3.078 20 10 FGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000895536259 742424081 /nfs/dbraw/zinc/42/40/81/742424081.db2.gz IIJHRBVEMPJZMW-OAHLLOKOSA-N 0 1 370.287 3.220 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897173325 742651530 /nfs/dbraw/zinc/65/15/30/742651530.db2.gz PHCYJRTVKFQSAC-CQSZACIVSA-N 0 1 360.281 3.453 20 10 FGCDMN CC(=O)N(c1nc(C[NH2+]Cc2cccc(Cl)c2[O-])cs1)C1CC1 ZINC000898218930 742760479 /nfs/dbraw/zinc/76/04/79/742760479.db2.gz SQHUNLNNNZXTLP-UHFFFAOYSA-N 0 1 351.859 3.307 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Cl)cc1[O-] ZINC000903435480 743850949 /nfs/dbraw/zinc/85/09/49/743850949.db2.gz QYGAXTYZRPVHGG-KOLCDFICSA-N 0 1 369.252 3.124 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)CCC1(O)CCC1 ZINC000929755428 760450580 /nfs/dbraw/zinc/45/05/80/760450580.db2.gz OFFXUJHFWLLNIA-HNNXBMFYSA-N 0 1 372.303 3.033 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)CCC1(O)CCC1 ZINC000929755428 760450584 /nfs/dbraw/zinc/45/05/84/760450584.db2.gz OFFXUJHFWLLNIA-HNNXBMFYSA-N 0 1 372.303 3.033 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2nccs2)C1 ZINC000571368270 505716023 /nfs/dbraw/zinc/71/60/23/505716023.db2.gz DPFQIEPDQRJBFR-UHFFFAOYSA-N 0 1 368.506 3.181 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000093150459 494836171 /nfs/dbraw/zinc/83/61/71/494836171.db2.gz KLKDPQMVOLPUOC-UHFFFAOYSA-N 0 1 353.253 3.201 20 10 FGCDMN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cccc(OC)c1O ZINC000093480532 494895949 /nfs/dbraw/zinc/89/59/49/494895949.db2.gz QTHAQIHMDFNUBQ-KRWDZBQOSA-N 0 1 370.449 3.321 20 10 FGCDMN COc1ccc(CN(C)C(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1F ZINC000111235663 495052343 /nfs/dbraw/zinc/05/23/43/495052343.db2.gz 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CN(C)c1ccc(CNCc2ccnc(OC3CCOCC3)c2)cc1F ZINC000264962149 497020256 /nfs/dbraw/zinc/02/02/56/497020256.db2.gz ONESFFRQFZSDLX-UHFFFAOYSA-N 0 1 359.445 3.134 20 10 FGCDMN Nc1ccc(CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000237903995 497311660 /nfs/dbraw/zinc/31/16/60/497311660.db2.gz NDFPQGIDBDKBDS-IBGZPJMESA-N 0 1 357.885 3.418 20 10 FGCDMN CCOCc1cc(CN[C@](C)(CC(=O)OC)c2ccncc2)ccc1OC ZINC000276443399 497575833 /nfs/dbraw/zinc/57/58/33/497575833.db2.gz IZYUOWTXZKIXFV-OAQYLSRUSA-N 0 1 372.465 3.195 20 10 FGCDMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856260 497831341 /nfs/dbraw/zinc/83/13/41/497831341.db2.gz BONKDQHBZACGQH-YYWHXJBOSA-N 0 1 372.509 3.075 20 10 FGCDMN Cc1cc(Br)cc(CN[C@@H](c2nncn2C)C(C)C)c1O ZINC000289532675 498182669 /nfs/dbraw/zinc/18/26/69/498182669.db2.gz PZEFZVYIZHXUSM-CYBMUJFWSA-N 0 1 353.264 3.079 20 10 FGCDMN O=C(NCc1n[nH]c(C2CC2)n1)N(Cc1ccccc1O)C1CCCCC1 ZINC000298026836 498642018 /nfs/dbraw/zinc/64/20/18/498642018.db2.gz GGVMQUIOZQAMAN-UHFFFAOYSA-N 0 1 369.469 3.432 20 10 FGCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2Cn2ccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000365826981 498656768 /nfs/dbraw/zinc/65/67/68/498656768.db2.gz RFBBHAPAGZBMDJ-HNNXBMFYSA-N 0 1 374.441 3.294 20 10 FGCDMN Cc1cc([C@@H]2CCCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)n[nH]1 ZINC000283561508 498923887 /nfs/dbraw/zinc/92/38/87/498923887.db2.gz GEMJSTSCIYHFNY-GOSISDBHSA-N 0 1 367.497 3.190 20 10 FGCDMN Cc1ccc(O)c([C@@H](C)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 ZINC000369900937 499148154 /nfs/dbraw/zinc/14/81/54/499148154.db2.gz DFPNBIOHPBTUNJ-VXGBXAGGSA-N 0 1 354.376 3.268 20 10 FGCDMN COCCC[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000370343218 499211495 /nfs/dbraw/zinc/21/14/95/499211495.db2.gz NKWACRZPPGLBEJ-WMLDXEAASA-N 0 1 368.905 3.189 20 10 FGCDMN CC(=O)c1cc(F)cc(CN[C@@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000371752009 499361421 /nfs/dbraw/zinc/36/14/21/499361421.db2.gz DIZOSLTZIFUHNE-LJQANCHMSA-N 0 1 353.397 3.347 20 10 FGCDMN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc2ccccc2c1[O-] ZINC000371835110 499370156 /nfs/dbraw/zinc/37/01/56/499370156.db2.gz QEUBSMXXABUXNN-JTSKRJEESA-N 0 1 370.493 3.077 20 10 FGCDMN [O-]c1ccc2ccccc2c1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000369548746 499416217 /nfs/dbraw/zinc/41/62/17/499416217.db2.gz GMDVUFMEXMIPTI-HOTGVXAUSA-N 0 1 352.413 3.042 20 10 FGCDMN COc1c([O-])c(C[NH2+][C@H]2COc3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC000373196311 499456682 /nfs/dbraw/zinc/45/66/82/499456682.db2.gz VEFSGBICQLBXGD-LBPRGKRZSA-N 0 1 350.758 3.186 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC23CC3)C1 ZINC000416052430 499944852 /nfs/dbraw/zinc/94/48/52/499944852.db2.gz UBWPRMBEQMQOTL-INIZCTEOSA-N 0 1 351.494 3.324 20 10 FGCDMN CCN1C[C@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@H]1C ZINC000498553258 503208582 /nfs/dbraw/zinc/20/85/82/503208582.db2.gz FECKEQLTAGVPKR-CVEARBPZSA-N 0 1 371.525 3.459 20 10 FGCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(NC(=O)[O-])c1 ZINC000833874140 605591779 /nfs/dbraw/zinc/59/17/79/605591779.db2.gz AOYMFTIYAYYQQC-UHFFFAOYSA-N 0 1 355.438 3.245 20 10 FGCDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(Br)c1O ZINC000834161948 605610046 /nfs/dbraw/zinc/61/00/46/605610046.db2.gz JAPXKCCVDLDQPB-YHWZYXNKSA-N 0 1 369.259 3.308 20 10 FGCDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Br)c1O ZINC000834161948 605610049 /nfs/dbraw/zinc/61/00/49/605610049.db2.gz JAPXKCCVDLDQPB-YHWZYXNKSA-N 0 1 369.259 3.308 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826511638 608520269 /nfs/dbraw/zinc/52/02/69/608520269.db2.gz YHUPJLBTGRQSNT-UHFFFAOYSA-N 0 1 355.829 3.390 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826511638 608520270 /nfs/dbraw/zinc/52/02/70/608520270.db2.gz YHUPJLBTGRQSNT-UHFFFAOYSA-N 0 1 355.829 3.390 20 10 FGCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C[C@@H]1n1ccnc1 ZINC000091960581 700429380 /nfs/dbraw/zinc/42/93/80/700429380.db2.gz FVZKJCMLRRDUTI-DOMZBBRYSA-N 0 1 350.260 3.434 20 10 FGCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)CS(=O)(=O)CC ZINC000093414030 700451205 /nfs/dbraw/zinc/45/12/05/700451205.db2.gz VMCQGNDSQWOJSV-SNVBAGLBSA-N 0 1 354.299 3.344 20 10 FGCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)CS(=O)(=O)CC ZINC000093414030 700451207 /nfs/dbraw/zinc/45/12/07/700451207.db2.gz VMCQGNDSQWOJSV-SNVBAGLBSA-N 0 1 354.299 3.344 20 10 FGCDMN CCOc1ccc(O)c(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000093512746 700451940 /nfs/dbraw/zinc/45/19/40/700451940.db2.gz MONFPASCIMFKCU-UHFFFAOYSA-N 0 1 361.873 3.157 20 10 FGCDMN O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000111394138 700548328 /nfs/dbraw/zinc/54/83/28/700548328.db2.gz QCPFRZZPLAREGM-UHFFFAOYSA-N 0 1 358.825 3.212 20 10 FGCDMN O=C1[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCN1C1CCCCC1 ZINC000131632487 700817944 /nfs/dbraw/zinc/81/79/44/700817944.db2.gz QGQOYVZPWDNQER-HNNXBMFYSA-N 0 1 367.287 3.178 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000176994875 705600421 /nfs/dbraw/zinc/60/04/21/705600421.db2.gz CFOAWLCBOQMZJZ-UHFFFAOYSA-N 0 1 360.841 3.126 20 10 FGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000176994875 705600422 /nfs/dbraw/zinc/60/04/22/705600422.db2.gz CFOAWLCBOQMZJZ-UHFFFAOYSA-N 0 1 360.841 3.126 20 10 FGCDMN CCn1cnnc1C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000374285542 713910536 /nfs/dbraw/zinc/91/05/36/713910536.db2.gz UFUBACBJVLCQJJ-UHFFFAOYSA-N 0 1 365.275 3.146 20 10 FGCDMN COCCN(CC[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC000383246840 713980994 /nfs/dbraw/zinc/98/09/94/713980994.db2.gz DLTXBQNHFJTECH-UHFFFAOYSA-N 0 1 358.866 3.019 20 10 FGCDMN COC(=O)[C@H](NCc1cccc(Br)c1O)c1ccccc1F ZINC000779178677 724398097 /nfs/dbraw/zinc/39/80/97/724398097.db2.gz QHYOSTZQDGWVKL-CQSZACIVSA-N 0 1 368.202 3.298 20 10 FGCDMN CN(C)c1ccc(CN2CCC(Oc3cncc(Cl)n3)CC2)cc1F ZINC000779189847 724398699 /nfs/dbraw/zinc/39/86/99/724398699.db2.gz FUPXMXXCEUSWPD-UHFFFAOYSA-N 0 1 364.852 3.379 20 10 FGCDMN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756765049 722969775 /nfs/dbraw/zinc/96/97/75/722969775.db2.gz NDAGJCPZXXFPRK-IGNZVWTISA-N 0 1 354.441 3.089 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@](C)(O)C(F)(F)F ZINC000799125379 723989626 /nfs/dbraw/zinc/98/96/26/723989626.db2.gz LOUSREDJZFWXBV-LBPRGKRZSA-N 0 1 356.182 3.290 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@](C)(O)C(F)(F)F ZINC000799125379 723989629 /nfs/dbraw/zinc/98/96/29/723989629.db2.gz LOUSREDJZFWXBV-LBPRGKRZSA-N 0 1 356.182 3.290 20 10 FGCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781905862 724610727 /nfs/dbraw/zinc/61/07/27/724610727.db2.gz QKVUUOWRXRQLEE-CYBMUJFWSA-N 0 1 369.303 3.201 20 10 FGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000781911595 724611019 /nfs/dbraw/zinc/61/10/19/724611019.db2.gz MGEYCZYFOZIVKG-AAEUAGOBSA-N 0 1 368.193 3.351 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncnc3c2CCC3)C1 ZINC000732048670 722481062 /nfs/dbraw/zinc/48/10/62/722481062.db2.gz FPDOBBSHNNALGI-HNNXBMFYSA-N 0 1 358.873 3.401 20 10 FGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ncnc3c2CCC3)C1 ZINC000732048670 722481063 /nfs/dbraw/zinc/48/10/63/722481063.db2.gz FPDOBBSHNNALGI-HNNXBMFYSA-N 0 1 358.873 3.401 20 10 FGCDMN CC1(OCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000746301657 722597652 /nfs/dbraw/zinc/59/76/52/722597652.db2.gz OMRZDUXXDQYWOA-MRXNPFEDSA-N 0 1 366.889 3.085 20 10 FGCDMN Oc1ccc2oc3c(c2c1CN1CCN(CC(F)F)CC1)CCCC3 ZINC000748078406 722674561 /nfs/dbraw/zinc/67/45/61/722674561.db2.gz NNIWGFGAGOVAOC-UHFFFAOYSA-N 0 1 350.409 3.400 20 10 FGCDMN Cc1cc(CC(=O)OCCc2c[nH]nn2)c(C)n1-c1ccc(Cl)cc1 ZINC000750720724 722778931 /nfs/dbraw/zinc/77/89/31/722778931.db2.gz STCJJYDOJZJOEN-UHFFFAOYSA-N 0 1 358.829 3.194 20 10 FGCDMN Cc1cc(CC(=O)OCCc2cnn[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000750720724 722778933 /nfs/dbraw/zinc/77/89/33/722778933.db2.gz STCJJYDOJZJOEN-UHFFFAOYSA-N 0 1 358.829 3.194 20 10 FGCDMN CN(C)c1ccc(CNC(=O)CN2CCSC3(CCCCC3)C2)cc1 ZINC000750840495 722782959 /nfs/dbraw/zinc/78/29/59/722782959.db2.gz RBFOFUSWYGIMHB-UHFFFAOYSA-N 0 1 361.555 3.121 20 10 FGCDMN CCN(CC)c1ccc(C[NH2+]Cc2nc(C)c(C(=O)[O-])s2)cc1F ZINC000756298995 722962572 /nfs/dbraw/zinc/96/25/72/722962572.db2.gz AXBJMXCLCGQQFJ-UHFFFAOYSA-N 0 1 351.447 3.425 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756403279 722964043 /nfs/dbraw/zinc/96/40/43/722964043.db2.gz XNXLXQONHUKQFG-MNOVXSKESA-N 0 1 357.267 3.429 20 10 FGCDMN Cc1nc(CC[NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])n[nH]1 ZINC000757636037 722977763 /nfs/dbraw/zinc/97/77/63/722977763.db2.gz DYMMDADTKSLZCP-SSDOTTSWSA-N 0 1 359.655 3.128 20 10 FGCDMN Cc1nnc(CC[NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])[nH]1 ZINC000757636037 722977764 /nfs/dbraw/zinc/97/77/64/722977764.db2.gz DYMMDADTKSLZCP-SSDOTTSWSA-N 0 1 359.655 3.128 20 10 FGCDMN CC[NH+](CC)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccsc1 ZINC000789957551 723088147 /nfs/dbraw/zinc/08/81/47/723088147.db2.gz UMYOCTARMDRHAQ-CYBMUJFWSA-N 0 1 352.431 3.111 20 10 FGCDMN C[NH+](C)[C@H]1CCN(c2ccc(NCc3c([O-])ccc(Cl)c3F)nc2)C1 ZINC000790240912 723116163 /nfs/dbraw/zinc/11/61/63/723116163.db2.gz NFMQKNOOOWQNRC-ZDUSSCGKSA-N 0 1 364.852 3.332 20 10 FGCDMN Cc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000761981921 723203656 /nfs/dbraw/zinc/20/36/56/723203656.db2.gz JRTOLFMPENWXSK-MRXNPFEDSA-N 0 1 362.857 3.270 20 10 FGCDMN CNC(=O)C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000795603653 723601646 /nfs/dbraw/zinc/60/16/46/723601646.db2.gz IBECHCMFOQHTFO-HNNXBMFYSA-N 0 1 363.255 3.122 20 10 FGCDMN COCCN(Cc1cccs1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768196999 723650103 /nfs/dbraw/zinc/65/01/03/723650103.db2.gz GYGWCQPRZNKCCT-UHFFFAOYSA-N 0 1 364.486 3.372 20 10 FGCDMN O=C(COC1CCCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768912012 723672051 /nfs/dbraw/zinc/67/20/51/723672051.db2.gz LNRXSPSOLYXRPX-INIZCTEOSA-N 0 1 366.889 3.085 20 10 FGCDMN CCCCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915059 723672116 /nfs/dbraw/zinc/67/21/16/723672116.db2.gz INKSUVAMYQDZIP-PBHICJAKSA-N 0 1 368.905 3.331 20 10 FGCDMN CCOC(=O)CC[N@H+](Cc1cccc(Br)c1[O-])CC1CC1 ZINC000769121311 723677440 /nfs/dbraw/zinc/67/74/40/723677440.db2.gz GMOCKWDZQNGXLR-UHFFFAOYSA-N 0 1 356.260 3.320 20 10 FGCDMN O=S1(=O)CC[C@@H](NCCCSc2nccs2)c2cc(F)ccc21 ZINC000775630010 724012942 /nfs/dbraw/zinc/01/29/42/724012942.db2.gz CFCBAQHFPGOVRD-CYBMUJFWSA-N 0 1 372.512 3.273 20 10 FGCDMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])C[C@@H](C)O1 ZINC000775660700 724018485 /nfs/dbraw/zinc/01/84/85/724018485.db2.gz GWBDGTNRMRZTJI-XJKCOSOUSA-N 0 1 356.869 3.258 20 10 FGCDMN COc1cccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c1O ZINC000776695927 724171555 /nfs/dbraw/zinc/17/15/55/724171555.db2.gz YJFOBWCTNKEXMC-KGLIPLIRSA-N 0 1 350.459 3.231 20 10 FGCDMN NC(=O)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Cc1ccccc1Cl ZINC000776935323 724197428 /nfs/dbraw/zinc/19/74/28/724197428.db2.gz ACTNZALKHMFGMJ-LBPRGKRZSA-N 0 1 353.249 3.133 20 10 FGCDMN COc1ccc(CNCc2c[nH]c(=NC(=O)OC(C)(C)C)s2)c(O)c1 ZINC000800524140 724208562 /nfs/dbraw/zinc/20/85/62/724208562.db2.gz BKVCDCTVRDBRHI-UHFFFAOYSA-N 0 1 365.455 3.494 20 10 FGCDMN CCn1nccc1CC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000801925860 724346644 /nfs/dbraw/zinc/34/66/44/724346644.db2.gz RYUOPXJPLMWDMF-UHFFFAOYSA-N 0 1 352.276 3.436 20 10 FGCDMN CCn1nccc1CC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000801925860 724346647 /nfs/dbraw/zinc/34/66/47/724346647.db2.gz RYUOPXJPLMWDMF-UHFFFAOYSA-N 0 1 352.276 3.436 20 10 FGCDMN COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000784625778 724868907 /nfs/dbraw/zinc/86/89/07/724868907.db2.gz OLSUPPVVCCMZAX-AWEZNQCLSA-N 0 1 354.244 3.485 20 10 FGCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)nc1 ZINC000805135629 725052291 /nfs/dbraw/zinc/05/22/91/725052291.db2.gz PJGYNZVEQCSWGW-UHFFFAOYSA-N 0 1 367.641 3.226 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000805227798 725057459 /nfs/dbraw/zinc/05/74/59/725057459.db2.gz FZABYBXFRWHJJA-NILFDRSVSA-N 0 1 371.264 3.456 20 10 FGCDMN Cc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000807513176 725162338 /nfs/dbraw/zinc/16/23/38/725162338.db2.gz IRVYSDMEAKEBBI-UHFFFAOYSA-N 0 1 371.195 3.401 20 10 FGCDMN CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836556 725171394 /nfs/dbraw/zinc/17/13/94/725171394.db2.gz FJJBSZFMDNKVHD-CQSZACIVSA-N 0 1 373.280 3.352 20 10 FGCDMN C[C@H](NC(=O)C1CCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836677 725171558 /nfs/dbraw/zinc/17/15/58/725171558.db2.gz JZHMAKKYOPOMDQ-VIFPVBQESA-N 0 1 359.253 3.010 20 10 FGCDMN COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1O ZINC000807837659 725171910 /nfs/dbraw/zinc/17/19/10/725171910.db2.gz ZMOZPBXUHGSTHJ-UHFFFAOYSA-N 0 1 372.204 3.352 20 10 FGCDMN O=C(CCNC(=O)C1CCCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838893 725172133 /nfs/dbraw/zinc/17/21/33/725172133.db2.gz BMXLVVFQODZDSX-UHFFFAOYSA-N 0 1 373.280 3.402 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-n2ccnn2)cc1 ZINC000807841164 725172163 /nfs/dbraw/zinc/17/21/63/725172163.db2.gz UDLYQKCGUIQUSX-UHFFFAOYSA-N 0 1 363.204 3.210 20 10 FGCDMN CO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(O)cc1 ZINC000807839932 725172285 /nfs/dbraw/zinc/17/22/85/725172285.db2.gz VCDGRIRNLRDOKC-HNNXBMFYSA-N 0 1 356.205 3.409 20 10 FGCDMN CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809708757 725261141 /nfs/dbraw/zinc/26/11/41/725261141.db2.gz JAEUZSNEQHCKHI-CYBMUJFWSA-N 0 1 371.275 3.207 20 10 FGCDMN Cn1cc(C[NH2+]Cc2cc(Br)ccc2[O-])c(C(C)(C)C)n1 ZINC000809713352 725261585 /nfs/dbraw/zinc/26/15/85/725261585.db2.gz NCKBSQNWINLXMI-UHFFFAOYSA-N 0 1 352.276 3.476 20 10 FGCDMN Cc1nn2c(nc(C)c2C[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000809712685 725261630 /nfs/dbraw/zinc/26/16/30/725261630.db2.gz BYOJWNJCSOCILR-UHFFFAOYSA-N 0 1 367.272 3.166 20 10 FGCDMN CCNC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000810226370 725298183 /nfs/dbraw/zinc/29/81/83/725298183.db2.gz FAMXEWLMFQEONM-JSGCOSHPSA-N 0 1 359.392 3.256 20 10 FGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810235707 725298702 /nfs/dbraw/zinc/29/87/02/725298702.db2.gz UIHSKTWTBNHSEM-GXTWGEPZSA-N 0 1 365.417 3.419 20 10 FGCDMN CC[C@H]([NH2+][C@@H](CCSC)C(=O)NC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240587 725299075 /nfs/dbraw/zinc/29/90/75/725299075.db2.gz ZAPGSODPFVDISE-STQMWFEESA-N 0 1 364.433 3.319 20 10 FGCDMN O=C([N-]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)C(F)(F)F ZINC000811514889 725372087 /nfs/dbraw/zinc/37/20/87/725372087.db2.gz RLPYGTOFNPABTF-SECBINFHSA-N 0 1 368.758 3.075 20 10 FGCDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)C(F)(F)F ZINC000811514889 725372089 /nfs/dbraw/zinc/37/20/89/725372089.db2.gz RLPYGTOFNPABTF-SECBINFHSA-N 0 1 368.758 3.075 20 10 FGCDMN CC(=O)NC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCCC1 ZINC000813682947 726904961 /nfs/dbraw/zinc/90/49/61/726904961.db2.gz NUTSNUJMCPFGCY-UHFFFAOYSA-N 0 1 359.253 3.154 20 10 FGCDMN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000813684215 726904966 /nfs/dbraw/zinc/90/49/66/726904966.db2.gz MKWCMNWUSNKYES-RQOWECAXSA-N 0 1 354.189 3.440 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](O)CCc1ccccc1 ZINC000813685582 726905188 /nfs/dbraw/zinc/90/51/88/726905188.db2.gz LMAOBMPRVYZPHH-OAHLLOKOSA-N 0 1 354.233 3.309 20 10 FGCDMN c1csc([C@@H](NCc2ccc(N3CCSCC3)cc2)c2nnc[nH]2)c1 ZINC000815560420 727083969 /nfs/dbraw/zinc/08/39/69/727083969.db2.gz HKRHMAOYKMWMSR-QGZVFWFLSA-N 0 1 371.535 3.299 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc(-c2ncc[nH]2)c1 ZINC000816681835 727188477 /nfs/dbraw/zinc/18/84/77/727188477.db2.gz IIMVIPDVFFPBMK-UHFFFAOYSA-N 0 1 363.204 3.414 20 10 FGCDMN CO[C@@H](CC(C)C)CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000817142653 727224499 /nfs/dbraw/zinc/22/44/99/727224499.db2.gz TWNSKUIMUMSANQ-LBPRGKRZSA-N 0 1 370.298 3.180 20 10 FGCDMN CN(Cc1cccs1)c1ccc(CN2CCO[C@]3(CCOC3)C2)cc1 ZINC000824181593 729322948 /nfs/dbraw/zinc/32/29/48/729322948.db2.gz TZDQMTOCCWXGOM-HXUWFJFHSA-N 0 1 358.507 3.376 20 10 FGCDMN Cn1cc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])CC23CCOCC3)cn1 ZINC000824716623 729356417 /nfs/dbraw/zinc/35/64/17/729356417.db2.gz XEGGRIGTEFITIO-KRWDZBQOSA-N 0 1 361.873 3.175 20 10 FGCDMN Cn1cc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])CC23CCOCC3)cn1 ZINC000824716623 729356419 /nfs/dbraw/zinc/35/64/19/729356419.db2.gz XEGGRIGTEFITIO-KRWDZBQOSA-N 0 1 361.873 3.175 20 10 FGCDMN CCc1nsc(N2CCCN(Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000824912985 729364840 /nfs/dbraw/zinc/36/48/40/729364840.db2.gz DXQQMZQTAVVXBU-UHFFFAOYSA-N 0 1 366.918 3.480 20 10 FGCDMN C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C[C@H]1n1ccnc1 ZINC000824928049 729365410 /nfs/dbraw/zinc/36/54/10/729365410.db2.gz TUZNZTWQMLHUMK-IUODEOHRSA-N 0 1 350.260 3.434 20 10 FGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C[C@H]1n1ccnc1 ZINC000824928049 729365411 /nfs/dbraw/zinc/36/54/11/729365411.db2.gz TUZNZTWQMLHUMK-IUODEOHRSA-N 0 1 350.260 3.434 20 10 FGCDMN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825326436 729378836 /nfs/dbraw/zinc/37/88/36/729378836.db2.gz PXSQIZUFUPUAGO-MNVSYLFESA-N 0 1 360.317 3.324 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@H](O)Cc1ccccc1 ZINC000825371294 729380790 /nfs/dbraw/zinc/38/07/90/729380790.db2.gz VSLHAXBRMIFLCD-BLLLJJGKSA-N 0 1 350.256 3.236 20 10 FGCDMN COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825548008 729387288 /nfs/dbraw/zinc/38/72/88/729387288.db2.gz AMHPXJAPLYZPQM-AAEUAGOBSA-N 0 1 371.275 3.111 20 10 FGCDMN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1O ZINC000825922438 729399641 /nfs/dbraw/zinc/39/96/41/729399641.db2.gz QYLNLWVPENXURH-CQSZACIVSA-N 0 1 365.857 3.009 20 10 FGCDMN Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000828019757 729438626 /nfs/dbraw/zinc/43/86/26/729438626.db2.gz YKGHPUIFKSHIRK-UHFFFAOYSA-N 0 1 364.833 3.272 20 10 FGCDMN Cc1nsc(N2CCCN(C/C=C/c3ccc(N(C)C)cc3)CC2)n1 ZINC000835028017 729850936 /nfs/dbraw/zinc/85/09/36/729850936.db2.gz IFEAXJXFJMUJTP-GQCTYLIASA-N 0 1 357.527 3.138 20 10 FGCDMN CN(C)c1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c(C(F)(F)F)c1 ZINC000835075516 729856732 /nfs/dbraw/zinc/85/67/32/729856732.db2.gz YRZVKUNKPCHTOU-GOEBONIOSA-N 0 1 355.404 3.014 20 10 FGCDMN COc1ccc(C[C@@H](CO)C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1O ZINC000840948699 730195618 /nfs/dbraw/zinc/19/56/18/730195618.db2.gz JNUSDQRZMRQIDJ-CQSZACIVSA-N 0 1 365.857 3.009 20 10 FGCDMN Cc1cccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1F ZINC000841494927 730248943 /nfs/dbraw/zinc/24/89/43/730248943.db2.gz FRDQZGSRBKHCMC-GXDHUFHOSA-N 0 1 350.484 3.430 20 10 FGCDMN COc1ccc(F)c(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000841497844 730249236 /nfs/dbraw/zinc/24/92/36/730249236.db2.gz ZBAMHPPSIGQMSR-XNTDXEJSSA-N 0 1 366.483 3.130 20 10 FGCDMN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744981 730269808 /nfs/dbraw/zinc/26/98/08/730269808.db2.gz LVVQLJPLIRIPER-NEPJUHHUSA-N 0 1 368.886 3.366 20 10 FGCDMN C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1[O-] ZINC000841743513 730269856 /nfs/dbraw/zinc/26/98/56/730269856.db2.gz ANRGOIURGDVKIG-ZDUSSCGKSA-N 0 1 362.857 3.363 20 10 FGCDMN C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(Cl)cc1[O-] ZINC000841756390 730270898 /nfs/dbraw/zinc/27/08/98/730270898.db2.gz XMNIGZBITPAHJD-LBPRGKRZSA-N 0 1 353.871 3.441 20 10 FGCDMN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(Br)cc1[O-] ZINC000842887122 730554037 /nfs/dbraw/zinc/55/40/37/730554037.db2.gz WONUZRPUKMJYAH-MFKMUULPSA-N 0 1 355.276 3.205 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C/c3cccc4c3CCC4)SC2=S)CC1 ZINC000844267760 730696225 /nfs/dbraw/zinc/69/62/25/730696225.db2.gz BIEJRJWKPHPNJU-ATVHPVEESA-N 0 1 358.532 3.471 20 10 FGCDMN COc1ccc(N(C)CCN(C)Cc2ccnc(Br)c2)cc1 ZINC000844401172 730712768 /nfs/dbraw/zinc/71/27/68/730712768.db2.gz IJRNEEGQUVPPGD-UHFFFAOYSA-N 0 1 364.287 3.421 20 10 FGCDMN O=C(NC1CC1)[C@H]1Cc2ccccc2CN1Cc1cccc(Cl)c1O ZINC000845998959 730917303 /nfs/dbraw/zinc/91/73/03/730917303.db2.gz GJBRPBJIFGQWAZ-GOSISDBHSA-N 0 1 356.853 3.251 20 10 FGCDMN CCN(Cc1ccccc1)c1ccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000846100967 730928777 /nfs/dbraw/zinc/92/87/77/730928777.db2.gz WLJUYYYOWXBWMO-STWLZBDKSA-N 0 1 354.519 3.418 20 10 FGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](OC)[C@H]1CCOC1 ZINC000851792863 731499453 /nfs/dbraw/zinc/49/94/53/731499453.db2.gz QKHGQLIJOJDODD-LRDDRELGSA-N 0 1 358.276 3.028 20 10 FGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](OC)[C@H]1CCOC1 ZINC000851792863 731499454 /nfs/dbraw/zinc/49/94/54/731499454.db2.gz QKHGQLIJOJDODD-LRDDRELGSA-N 0 1 358.276 3.028 20 10 FGCDMN C[C@H]1CCc2nc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn2C1 ZINC000857952962 732171710 /nfs/dbraw/zinc/17/17/10/732171710.db2.gz GDDNYIQTBKHHKY-VIFPVBQESA-N 0 1 354.237 3.408 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000858086597 732178721 /nfs/dbraw/zinc/17/87/21/732178721.db2.gz CHADZMYRXXXQHX-LLVKDONJSA-N 0 1 350.212 3.084 20 10 FGCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1OC ZINC000858086557 732178937 /nfs/dbraw/zinc/17/89/37/732178937.db2.gz KHZDSWCJQFTIJX-UHFFFAOYSA-N 0 1 352.228 3.462 20 10 FGCDMN COc1cc(CC[NH2+]Cc2c([O-])cccc2Br)ccc1O ZINC000858137936 732184603 /nfs/dbraw/zinc/18/46/03/732184603.db2.gz IUHOVBSJKRINLK-UHFFFAOYSA-N 0 1 352.228 3.201 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000858162186 732187597 /nfs/dbraw/zinc/18/75/97/732187597.db2.gz RNGFCDILYIYIIU-UHFFFAOYSA-N 0 1 368.300 3.370 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000858165902 732188418 /nfs/dbraw/zinc/18/84/18/732188418.db2.gz RFQBLXODSOHQJE-YJBOKZPZSA-N 0 1 362.267 3.411 20 10 FGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000858177674 732189245 /nfs/dbraw/zinc/18/92/45/732189245.db2.gz GGHIJVXPSBYHQY-GFCCVEGCSA-N 0 1 354.219 3.160 20 10 FGCDMN C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000858195390 732191229 /nfs/dbraw/zinc/19/12/29/732191229.db2.gz VDLFRRRFROEOTG-PXAZEXFGSA-N 0 1 350.256 3.409 20 10 FGCDMN CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cc(Br)ccc1[O-] ZINC000858475504 732218762 /nfs/dbraw/zinc/21/87/62/732218762.db2.gz ZUVJLQIGQFNFQM-TZMCWYRMSA-N 0 1 354.244 3.457 20 10 FGCDMN CC(C)CNC(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862216495 732787789 /nfs/dbraw/zinc/78/77/89/732787789.db2.gz YQBPQZWRJREXCX-UHFFFAOYSA-N 0 1 369.303 3.139 20 10 FGCDMN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC000862333055 732810993 /nfs/dbraw/zinc/81/09/93/732810993.db2.gz NAZJQSWYMIFNNE-SFHVURJKSA-N 0 1 373.250 3.251 20 10 FGCDMN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC000862333055 732810994 /nfs/dbraw/zinc/81/09/94/732810994.db2.gz NAZJQSWYMIFNNE-SFHVURJKSA-N 0 1 373.250 3.251 20 10 FGCDMN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862365925 732817395 /nfs/dbraw/zinc/81/73/95/732817395.db2.gz HPZZGHSVZCHHNH-GFCCVEGCSA-N 0 1 355.276 3.035 20 10 FGCDMN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br ZINC000862365925 732817398 /nfs/dbraw/zinc/81/73/98/732817398.db2.gz HPZZGHSVZCHHNH-GFCCVEGCSA-N 0 1 355.276 3.035 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000862375838 732819198 /nfs/dbraw/zinc/81/91/98/732819198.db2.gz SAYXMPXZRCJWRW-SFHVURJKSA-N 0 1 362.267 3.291 20 10 FGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000862375838 732819205 /nfs/dbraw/zinc/81/92/05/732819205.db2.gz SAYXMPXZRCJWRW-SFHVURJKSA-N 0 1 362.267 3.291 20 10 FGCDMN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862394890 732823852 /nfs/dbraw/zinc/82/38/52/732823852.db2.gz SHRXAAKJMQVMII-CYBMUJFWSA-N 0 1 367.287 3.132 20 10 FGCDMN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862394890 732823859 /nfs/dbraw/zinc/82/38/59/732823859.db2.gz SHRXAAKJMQVMII-CYBMUJFWSA-N 0 1 367.287 3.132 20 10 FGCDMN CCO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000868357814 733586012 /nfs/dbraw/zinc/58/60/12/733586012.db2.gz HIGUUZUKKMSZIW-HNNXBMFYSA-N 0 1 362.253 3.147 20 10 FGCDMN CCN(C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1)CC(F)(F)F ZINC000876781849 736143917 /nfs/dbraw/zinc/14/39/17/736143917.db2.gz OCSFHGKQTFJOTF-LLVKDONJSA-N 0 1 352.347 3.377 20 10 FGCDMN CSc1ccsc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851414 737390386 /nfs/dbraw/zinc/39/03/86/737390386.db2.gz JUUNPHIKXLRVFX-UHFFFAOYSA-N 0 1 361.536 3.152 20 10 FGCDMN COC[C@H](NCc1ccc(OC)c(OC)c1O)c1ccc(F)c(F)c1 ZINC000893286865 742135330 /nfs/dbraw/zinc/13/53/30/742135330.db2.gz XJYGOWJZQRMVOX-HNNXBMFYSA-N 0 1 353.365 3.165 20 10 FGCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000894083490 742236334 /nfs/dbraw/zinc/23/63/34/742236334.db2.gz DZDDWDCQGAJJCW-QWHCGFSZSA-N 0 1 362.264 3.000 20 10 FGCDMN COCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894530797 742295895 /nfs/dbraw/zinc/29/58/95/742295895.db2.gz MTNZHXJRLYYCNJ-LBPRGKRZSA-N 0 1 364.667 3.045 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895070140 742370667 /nfs/dbraw/zinc/37/06/67/742370667.db2.gz BYDNCDAGRFTAKP-UHFFFAOYSA-N 0 1 368.264 3.486 20 10 FGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895070140 742370672 /nfs/dbraw/zinc/37/06/72/742370672.db2.gz BYDNCDAGRFTAKP-UHFFFAOYSA-N 0 1 368.264 3.486 20 10 FGCDMN COc1cc(Br)cc(CN2CCC(O)(C3CCC3)CC2)c1O ZINC000897034871 742633995 /nfs/dbraw/zinc/63/39/95/742633995.db2.gz OHEUZBQGIKGWHH-UHFFFAOYSA-N 0 1 370.287 3.290 20 10 FGCDMN CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])c1nncn1C ZINC000903064497 743801070 /nfs/dbraw/zinc/80/10/70/743801070.db2.gz MWGSYAGLBHCQJO-QMTHXVAHSA-N 0 1 353.264 3.331 20 10 FGCDMN C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(Br)ccc1[O-] ZINC000903347232 743839472 /nfs/dbraw/zinc/83/94/72/743839472.db2.gz MDEDIACNQRQRRB-GFCCVEGCSA-N 0 1 370.287 3.127 20 10 FGCDMN C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Br)cc1[O-] ZINC000903391277 743843884 /nfs/dbraw/zinc/84/38/84/743843884.db2.gz XFPDKTJSFHSEBV-XHDPSFHLSA-N 0 1 356.260 3.143 20 10 FGCDMN C[C@H](NC(=S)NCc1ccc(N2CCN(C)CC2)cc1)c1cccs1 ZINC000905528633 744029992 /nfs/dbraw/zinc/02/99/92/744029992.db2.gz GBYHFTVNCVMKCV-HNNXBMFYSA-N 0 1 374.579 3.225 20 10 FGCDMN CN1CCC(N2C(=O)/C(=C\c3csc(C4CC4)n3)SC2=S)CC1 ZINC000920471599 758558148 /nfs/dbraw/zinc/55/81/48/758558148.db2.gz CZNOJGBMODTASR-MDWZMJQESA-N 0 1 365.549 3.316 20 10 FGCDMN CCc1[nH]nc(Cl)c1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000921584813 758750360 /nfs/dbraw/zinc/75/03/60/758750360.db2.gz YWXNGLYLWSLFSQ-UHFFFAOYSA-N 0 1 362.905 3.124 20 10 FGCDMN C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000925785627 759537521 /nfs/dbraw/zinc/53/75/21/759537521.db2.gz VCCAMOLJRWWJPK-RKDXNWHRSA-N 0 1 367.209 3.189 20 10 FGCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1ccc(Br)cc1[O-] ZINC000927105576 759892451 /nfs/dbraw/zinc/89/24/51/759892451.db2.gz UCCKSOIXBDQRFX-DOMZBBRYSA-N 0 1 369.303 3.059 20 10 FGCDMN Cc1c[nH]c(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000579551025 505573159 /nfs/dbraw/zinc/57/31/59/505573159.db2.gz HQPMDTCXISBJHL-UHFFFAOYSA-N 0 1 351.454 3.078 20 10 FGCDMN CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090846486 494500077 /nfs/dbraw/zinc/50/00/77/494500077.db2.gz YLVGYPFDPFERCW-HNNXBMFYSA-N 0 1 374.504 3.371 20 10 FGCDMN CCOc1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000121773170 494856913 /nfs/dbraw/zinc/85/69/13/494856913.db2.gz FUWSHFFLPMMJQH-MRXNPFEDSA-N 0 1 352.438 3.213 20 10 FGCDMN CCOc1ccc(O)c(CN2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000179483433 495609478 /nfs/dbraw/zinc/60/94/78/495609478.db2.gz DMVYXBVSAPDWQE-UHFFFAOYSA-N 0 1 354.450 3.139 20 10 FGCDMN C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Br)ccc1[O-] ZINC000186091313 495852113 /nfs/dbraw/zinc/85/21/13/495852113.db2.gz XWUIQFNKECJYFE-NSHDSACASA-N 0 1 355.276 3.112 20 10 FGCDMN Cc1ccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158050411 496616552 /nfs/dbraw/zinc/61/65/52/496616552.db2.gz OTSRHQKYVPCWQK-SFHVURJKSA-N 0 1 373.884 3.072 20 10 FGCDMN C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(Br)cc1[O-] ZINC000273402652 496796158 /nfs/dbraw/zinc/79/61/58/496796158.db2.gz NQBCGQQYQOYHSO-NSHDSACASA-N 0 1 350.260 3.467 20 10 FGCDMN CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000273603176 496851990 /nfs/dbraw/zinc/85/19/90/496851990.db2.gz SMHXSRPKTCCHHU-GWMXKSKGSA-N 0 1 355.276 3.253 20 10 FGCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000279570027 497474894 /nfs/dbraw/zinc/47/48/94/497474894.db2.gz SSIRACLFZMUJTI-STQMWFEESA-N 0 1 353.426 3.301 20 10 FGCDMN CN(C)c1ccc(CN2CCC(NC(=O)C3CC3)CC2)c(C(F)(F)F)c1 ZINC000279614540 497488352 /nfs/dbraw/zinc/48/83/52/497488352.db2.gz JLWUAYZDOIEXRL-UHFFFAOYSA-N 0 1 369.431 3.262 20 10 FGCDMN COC(=O)c1ccccc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000267999637 497656064 /nfs/dbraw/zinc/65/60/64/497656064.db2.gz MNVWYLOFIZFXQR-UHFFFAOYSA-N 0 1 363.435 3.411 20 10 FGCDMN CC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cc(Br)ccc1[O-] ZINC000280890543 497937365 /nfs/dbraw/zinc/93/73/65/497937365.db2.gz FBERNFBKVFUGGT-CJNGLKHVSA-N 0 1 369.303 3.454 20 10 FGCDMN CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290390873 498534383 /nfs/dbraw/zinc/53/43/83/498534383.db2.gz SHBGIKMALIRRQV-HNNXBMFYSA-N 0 1 356.507 3.290 20 10 FGCDMN Cc1n[nH]c(C)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000299089631 498962003 /nfs/dbraw/zinc/96/20/03/498962003.db2.gz XNRVPXYUZNTLME-UHFFFAOYSA-N 0 1 368.403 3.172 20 10 FGCDMN NC(=O)C[C@H]1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000367983020 499251885 /nfs/dbraw/zinc/25/18/85/499251885.db2.gz MLVBUERKALCWJZ-XGBCSFPLSA-N 0 1 365.437 3.238 20 10 FGCDMN Oc1ccc(Br)cc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000375389650 499513026 /nfs/dbraw/zinc/51/30/26/499513026.db2.gz GBFMYXLNTILTMY-OAHLLOKOSA-N 0 1 359.227 3.152 20 10 FGCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376575473 499619842 /nfs/dbraw/zinc/61/98/42/499619842.db2.gz VCOGXCQYVATWNJ-STQMWFEESA-N 0 1 358.269 3.125 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CS[C@@H](C)C2)C1 ZINC000412614891 499869181 /nfs/dbraw/zinc/86/91/81/499869181.db2.gz QVQVXQLFZXFYAT-HOTGVXAUSA-N 0 1 371.550 3.418 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(F)(F)F)C1 ZINC000424952077 499974712 /nfs/dbraw/zinc/97/47/12/499974712.db2.gz UYHCYWFYYXXELH-CYBMUJFWSA-N 0 1 367.415 3.475 20 10 FGCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000444128222 500807205 /nfs/dbraw/zinc/80/72/05/500807205.db2.gz PYNKDHDXVDDIJJ-KRWDZBQOSA-N 0 1 369.509 3.045 20 10 FGCDMN CS[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000452555870 501522712 /nfs/dbraw/zinc/52/27/12/501522712.db2.gz ZEGZUMLZLLRADE-MRXNPFEDSA-N 0 1 371.550 3.372 20 10 FGCDMN COc1ccc(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000527988928 504028497 /nfs/dbraw/zinc/02/84/97/504028497.db2.gz WDEFFNVIVMVZFD-NSHDSACASA-N 0 1 351.244 3.452 20 10 FGCDMN CCOc1ccc(O)c(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000833662628 604640518 /nfs/dbraw/zinc/64/05/18/604640518.db2.gz IOVOZGHEBSGPEB-UHFFFAOYSA-N 0 1 351.349 3.156 20 10 FGCDMN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(N(C)C)cc1 ZINC000824296955 608533690 /nfs/dbraw/zinc/53/36/90/608533690.db2.gz MXDQEUHJQRWYBP-UHFFFAOYSA-N 0 1 356.499 3.405 20 10 FGCDMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(N(C)C)cc1 ZINC000824296955 608533691 /nfs/dbraw/zinc/53/36/91/608533691.db2.gz MXDQEUHJQRWYBP-UHFFFAOYSA-N 0 1 356.499 3.405 20 10 FGCDMN CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)s1)Cc1ccc(N(C)C)cc1 ZINC000824296955 608533692 /nfs/dbraw/zinc/53/36/92/608533692.db2.gz MXDQEUHJQRWYBP-UHFFFAOYSA-N 0 1 356.499 3.405 20 10 FGCDMN CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)Cc1ccc(N(C)C)cc1 ZINC000824296955 608533693 /nfs/dbraw/zinc/53/36/93/608533693.db2.gz MXDQEUHJQRWYBP-UHFFFAOYSA-N 0 1 356.499 3.405 20 10 FGCDMN