smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(NC(=O)[C@H](C)c2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000159424230 495730345 /nfs/dbraw/zinc/73/03/45/495730345.db2.gz FHPRSIIVCJNBST-CYBMUJFWSA-N -1 1 362.451 3.117 20 70 FGIDMM CCCOc1cccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000160073153 495878299 /nfs/dbraw/zinc/87/82/99/495878299.db2.gz DKTNIKOJTKIRHK-UHFFFAOYSA-N -1 1 368.437 3.412 20 70 FGIDMM Cc1ccc(-c2n[nH]c(NC(=O)c3cnc4c(cnn4CC(C)C)c3)n2)o1 ZINC000160351495 495942242 /nfs/dbraw/zinc/94/22/42/495942242.db2.gz XSWNSKKTVXMMOW-UHFFFAOYSA-N -1 1 365.397 3.026 20 70 FGIDMM Cc1cnccc1[N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000159611016 495769851 /nfs/dbraw/zinc/76/98/51/495769851.db2.gz GQZNRKMRJLTIQC-UHFFFAOYSA-N -1 1 370.272 3.019 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cccc2ccccc21 ZINC000159850169 495823968 /nfs/dbraw/zinc/82/39/68/495823968.db2.gz OEWPVCVVDWRKII-UHFFFAOYSA-N -1 1 374.444 3.454 20 70 FGIDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)[nH]n1 ZINC000159875972 495830078 /nfs/dbraw/zinc/83/00/78/495830078.db2.gz AFMYZOSLJAOJES-SNVBAGLBSA-N -1 1 368.434 3.212 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@H](C)c2ccccc21 ZINC000160289504 495927756 /nfs/dbraw/zinc/92/77/56/495927756.db2.gz ZAQYMHMQGRJPOA-LBPRGKRZSA-N -1 1 350.422 3.135 20 70 FGIDMM O=C(N[C@@H](CCO)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000159523822 495751165 /nfs/dbraw/zinc/75/11/65/495751165.db2.gz HDWKLQXBMLHKAE-AWEZNQCLSA-N -1 1 350.212 3.008 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000159910291 495838344 /nfs/dbraw/zinc/83/83/44/495838344.db2.gz CRFZQJISZWWFPM-WMLDXEAASA-N -1 1 368.481 3.110 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1CC ZINC000160185236 495902915 /nfs/dbraw/zinc/90/29/15/495902915.db2.gz QLSAOSGJJZVVPY-UHFFFAOYSA-N -1 1 356.451 3.397 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000159657532 495780358 /nfs/dbraw/zinc/78/03/58/495780358.db2.gz YSSLMKIZHVFBBS-KSSFIOAISA-N -1 1 368.481 3.110 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC)c2C)cc1CC ZINC000160049721 495872151 /nfs/dbraw/zinc/87/21/51/495872151.db2.gz HNKUOKUSAGCLIR-UHFFFAOYSA-N -1 1 360.479 3.280 20 70 FGIDMM Cc1ccc2c([O-])c(C(=O)N3CCOC4(C3)CCCCCC4)cnc2n1 ZINC000160477126 495972774 /nfs/dbraw/zinc/97/27/74/495972774.db2.gz CRTXMYCCUMNXMO-UHFFFAOYSA-N -1 1 355.438 3.209 20 70 FGIDMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCOC3(C1)CCCCCC3)c2=O ZINC000160477126 495972779 /nfs/dbraw/zinc/97/27/79/495972779.db2.gz CRTXMYCCUMNXMO-UHFFFAOYSA-N -1 1 355.438 3.209 20 70 FGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1C ZINC000160500213 495977290 /nfs/dbraw/zinc/97/72/90/495977290.db2.gz WGWQNHBUEYCBBW-UHFFFAOYSA-N -1 1 351.762 3.082 20 70 FGIDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccccc3N(C)C)cc2F)c1 ZINC000160911955 496065629 /nfs/dbraw/zinc/06/56/29/496065629.db2.gz QAGAFYOMATUFFB-UHFFFAOYSA-N -1 1 374.441 3.187 20 70 FGIDMM O=S(=O)([N-]C1CCCC1)c1c(Cl)cc(F)cc1Br ZINC000159610671 495768677 /nfs/dbraw/zinc/76/86/77/495768677.db2.gz SCQFFCJUOZISIS-UHFFFAOYSA-N -1 1 356.644 3.463 20 70 FGIDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159862268 495825921 /nfs/dbraw/zinc/82/59/21/495825921.db2.gz QTACRPNGRIWNEA-AWEZNQCLSA-N -1 1 369.465 3.408 20 70 FGIDMM COc1ccsc1S(=O)(=O)[N-]c1cc(CC2CCCCC2)n[nH]1 ZINC000159858879 495826428 /nfs/dbraw/zinc/82/64/28/495826428.db2.gz SHUYEUJLDCZPOR-UHFFFAOYSA-N -1 1 355.485 3.403 20 70 FGIDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)OC)[nH]n1 ZINC000159878184 495830601 /nfs/dbraw/zinc/83/06/01/495830601.db2.gz NVKVQJDCMHYPAC-NSHDSACASA-N -1 1 365.455 3.209 20 70 FGIDMM Cc1noc(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000160044187 495871521 /nfs/dbraw/zinc/87/15/21/495871521.db2.gz HVFPTSYWUGYWLW-UHFFFAOYSA-N -1 1 359.245 3.472 20 70 FGIDMM O=C(NCc1ccn(C2CCCC2)n1)c1ccc(Br)c([O-])c1 ZINC000160616803 496005072 /nfs/dbraw/zinc/00/50/72/496005072.db2.gz OACKAJKBDPBVIV-UHFFFAOYSA-N -1 1 364.243 3.396 20 70 FGIDMM Cc1cc([N-]S(=O)(=O)Cc2cccc(F)c2)ncc1Br ZINC000160976385 496078975 /nfs/dbraw/zinc/07/89/75/496078975.db2.gz AHSRFDIFBMHMMF-UHFFFAOYSA-N -1 1 359.220 3.234 20 70 FGIDMM COc1cc(NC(=O)c2cc(Cl)ccc2C)ccc1[N-]S(C)(=O)=O ZINC000160135620 495893102 /nfs/dbraw/zinc/89/31/02/495893102.db2.gz HKOPWZNXTZGNSZ-UHFFFAOYSA-N -1 1 368.842 3.281 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000159999104 495859618 /nfs/dbraw/zinc/85/96/18/495859618.db2.gz NGLCUQBUTCWSEC-UHFFFAOYSA-N -1 1 372.446 3.355 20 70 FGIDMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3c(Cl)cccc3Cl)no2)co1 ZINC000161390490 496166478 /nfs/dbraw/zinc/16/64/78/496166478.db2.gz FVINVSXTPLZRID-UHFFFAOYSA-N -1 1 374.205 3.212 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@@H](C)c2ccccc21 ZINC000160289644 495928340 /nfs/dbraw/zinc/92/83/40/495928340.db2.gz ZAQYMHMQGRJPOA-GFCCVEGCSA-N -1 1 350.422 3.135 20 70 FGIDMM O=S(=O)([N-]CC1(CO)CCCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000160346044 495941144 /nfs/dbraw/zinc/94/11/44/495941144.db2.gz QOSJRESLKWCTPT-UHFFFAOYSA-N -1 1 372.701 3.478 20 70 FGIDMM CC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1cccs1 ZINC000160758741 496037050 /nfs/dbraw/zinc/03/70/50/496037050.db2.gz AGBNJUCNBJUILX-CQSZACIVSA-N -1 1 358.467 3.313 20 70 FGIDMM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)cn1 ZINC000161119086 496107226 /nfs/dbraw/zinc/10/72/26/496107226.db2.gz GALQGFKJZVSWRL-UHFFFAOYSA-N -1 1 364.652 3.120 20 70 FGIDMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cnc2n1 ZINC000159427321 495731244 /nfs/dbraw/zinc/73/12/44/495731244.db2.gz ZNAXSTLZFSJXHX-MAUKXSAKSA-N -1 1 363.417 3.294 20 70 FGIDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCO[C@@H](c3ccccc3)C1)c2=O ZINC000159427321 495731248 /nfs/dbraw/zinc/73/12/48/495731248.db2.gz ZNAXSTLZFSJXHX-MAUKXSAKSA-N -1 1 363.417 3.294 20 70 FGIDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1 ZINC000159690915 495787644 /nfs/dbraw/zinc/78/76/44/495787644.db2.gz YYSAMJZAHGWNMN-ZCFIWIBFSA-N -1 1 356.644 3.318 20 70 FGIDMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000160402853 495954569 /nfs/dbraw/zinc/95/45/69/495954569.db2.gz PTGOEEWDJBESRG-UHFFFAOYSA-N -1 1 353.513 3.303 20 70 FGIDMM CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000160103717 495884430 /nfs/dbraw/zinc/88/44/30/495884430.db2.gz DYYWCSBYMXEQTA-QAPCUYQASA-N -1 1 368.481 3.158 20 70 FGIDMM Cc1cc([C@@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c(C)o1 ZINC000161420886 496173752 /nfs/dbraw/zinc/17/37/52/496173752.db2.gz VMXLQLHEUJCZLY-GFCCVEGCSA-N -1 1 356.426 3.072 20 70 FGIDMM O=S(=O)([N-]Cc1ccncc1)c1c(Cl)cccc1C(F)(F)F ZINC000159486258 495742154 /nfs/dbraw/zinc/74/21/54/495742154.db2.gz BKILDYRQYSSAPH-UHFFFAOYSA-N -1 1 350.749 3.232 20 70 FGIDMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(C(F)F)s3)cs2)n1C ZINC000159955536 495848953 /nfs/dbraw/zinc/84/89/53/495848953.db2.gz DYKMWYBLWZURDV-UHFFFAOYSA-N -1 1 355.395 3.498 20 70 FGIDMM CSc1nc(C)c(CCC(=O)NCC(C)(C)C2CCCC2)c(=O)[n-]1 ZINC000160067236 495877118 /nfs/dbraw/zinc/87/71/18/495877118.db2.gz BAHMUWRDFXXPOD-UHFFFAOYSA-N -1 1 351.516 3.065 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)cc1CC ZINC000160288090 495927084 /nfs/dbraw/zinc/92/70/84/495927084.db2.gz ODHQIIYEHOUTLA-UHFFFAOYSA-N -1 1 372.490 3.240 20 70 FGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1C ZINC000160475821 495971695 /nfs/dbraw/zinc/97/16/95/495971695.db2.gz NEPWZMIBHZMCKA-UHFFFAOYSA-N -1 1 353.753 3.500 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000161099566 496102785 /nfs/dbraw/zinc/10/27/85/496102785.db2.gz HSZWHDPXOKFQSO-HOCLYGCPSA-N -1 1 368.481 3.015 20 70 FGIDMM O=S(=O)([N-]Cc1ccccc1CO)c1cc(Cl)sc1Cl ZINC000159754077 495801440 /nfs/dbraw/zinc/80/14/40/495801440.db2.gz BQHHFCDAFIKIBU-UHFFFAOYSA-N -1 1 352.264 3.026 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)c1 ZINC000160044693 495871139 /nfs/dbraw/zinc/87/11/39/495871139.db2.gz PTOJDCLVRJQUMC-UHFFFAOYSA-N -1 1 374.462 3.090 20 70 FGIDMM CCO[C@@H](C)c1nc(CC(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cs1 ZINC000160312613 495932450 /nfs/dbraw/zinc/93/24/50/495932450.db2.gz OUNALZPXPHDADI-JTQLQIEISA-N -1 1 361.427 3.108 20 70 FGIDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)s1 ZINC000160539198 495987439 /nfs/dbraw/zinc/98/74/39/495987439.db2.gz GQBOYHRRZUSCCP-UHFFFAOYSA-N -1 1 369.512 3.464 20 70 FGIDMM O=C([N-]O[C@H]1CCCCO1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000160619929 496005223 /nfs/dbraw/zinc/00/52/23/496005223.db2.gz UPUILNUAABHPKK-HNNXBMFYSA-N -1 1 368.796 3.304 20 70 FGIDMM Cc1nc2ccc(NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)cc2o1 ZINC000159586774 495764138 /nfs/dbraw/zinc/76/41/38/495764138.db2.gz YAXMYYMRPXYCJO-UHFFFAOYSA-N -1 1 365.393 3.073 20 70 FGIDMM Cc1cc(C)c(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c(C)c1 ZINC000159859885 495826278 /nfs/dbraw/zinc/82/62/78/495826278.db2.gz KVAIESJCRKEFMN-UHFFFAOYSA-N -1 1 366.465 3.226 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1CC ZINC000160045265 495871284 /nfs/dbraw/zinc/87/12/84/495871284.db2.gz MZHRDGNRNUIZMO-UHFFFAOYSA-N -1 1 370.478 3.408 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1CC ZINC000160175299 495902378 /nfs/dbraw/zinc/90/23/78/495902378.db2.gz DSSJPWOAKZDECW-JOCHJYFZSA-N -1 1 351.493 3.350 20 70 FGIDMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C)n1 ZINC000160680904 496018398 /nfs/dbraw/zinc/01/83/98/496018398.db2.gz GRDKZESWWWYZBX-UHFFFAOYSA-N -1 1 364.320 3.357 20 70 FGIDMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2c(C)cccc2F)cn1 ZINC000160835027 496051118 /nfs/dbraw/zinc/05/11/18/496051118.db2.gz UGEQGOKCVFYHNH-UHFFFAOYSA-N -1 1 361.398 3.129 20 70 FGIDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(OCCF)c3)ccc2O1 ZINC000161201206 496125598 /nfs/dbraw/zinc/12/55/98/496125598.db2.gz MVAABISIYSCXHZ-LBPRGKRZSA-N -1 1 351.399 3.159 20 70 FGIDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)[nH]n1 ZINC000159941540 495846802 /nfs/dbraw/zinc/84/68/02/495846802.db2.gz ZNUWAASTIPJPPY-UHFFFAOYSA-N -1 1 370.862 3.165 20 70 FGIDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)co1 ZINC000160666197 496016020 /nfs/dbraw/zinc/01/60/20/496016020.db2.gz XLOZRXKEPLOWCE-UHFFFAOYSA-N -1 1 356.403 3.107 20 70 FGIDMM CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000161183344 496122342 /nfs/dbraw/zinc/12/23/42/496122342.db2.gz XVSFHTSZGCDUQH-ZIAGYGMSSA-N -1 1 370.515 3.397 20 70 FGIDMM CCN(Cc1ccccc1C)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000159879782 495831820 /nfs/dbraw/zinc/83/18/20/495831820.db2.gz GPNASOAZDMMQKD-UHFFFAOYSA-N -1 1 366.465 3.341 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)c1 ZINC000159930421 495843756 /nfs/dbraw/zinc/84/37/56/495843756.db2.gz KYYGZKBZESSLNK-UHFFFAOYSA-N -1 1 355.362 3.367 20 70 FGIDMM O=C([N-]O[C@@H]1CCCCO1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000160619808 496005172 /nfs/dbraw/zinc/00/51/72/496005172.db2.gz UPUILNUAABHPKK-OAHLLOKOSA-N -1 1 368.796 3.304 20 70 FGIDMM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000218382129 497002207 /nfs/dbraw/zinc/00/22/07/497002207.db2.gz ODNIBZXKCJLMNF-IBGZPJMESA-N -1 1 361.397 3.286 20 70 FGIDMM O=C(/C=C/c1ccc(Cl)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216741666 568137304 /nfs/dbraw/zinc/13/73/04/568137304.db2.gz BNIZKWOWJCIEEQ-ZZXKWVIFSA-N -1 1 374.790 3.270 20 70 FGIDMM C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000159836216 495820236 /nfs/dbraw/zinc/82/02/36/495820236.db2.gz DKGWUKMWTLAMFZ-SNVBAGLBSA-N -1 1 350.212 3.221 20 70 FGIDMM Cc1nc(CCNC(=O)c2ccc(Br)cc2[O-])sc1C ZINC000160092140 495881571 /nfs/dbraw/zinc/88/15/71/495881571.db2.gz XHKUJJLDODMOTR-UHFFFAOYSA-N -1 1 355.257 3.201 20 70 FGIDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)[nH]n1 ZINC000160640373 496009507 /nfs/dbraw/zinc/00/95/07/496009507.db2.gz PPNWSWRUVVCNBL-UHFFFAOYSA-N -1 1 362.224 3.236 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCC1CCCC1 ZINC000159601127 495767877 /nfs/dbraw/zinc/76/78/77/495767877.db2.gz IHFVASVIGBUXRE-UHFFFAOYSA-N -1 1 368.481 3.160 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000159910580 495838603 /nfs/dbraw/zinc/83/86/03/495838603.db2.gz CRFZQJISZWWFPM-RHSMWYFYSA-N -1 1 368.481 3.110 20 70 FGIDMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)n1 ZINC000160669956 496015736 /nfs/dbraw/zinc/01/57/36/496015736.db2.gz SJGNBIYOOOBEMQ-UHFFFAOYSA-N -1 1 362.329 3.098 20 70 FGIDMM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(Br)c([O-])c2)o1 ZINC000160673290 496016993 /nfs/dbraw/zinc/01/69/93/496016993.db2.gz YMNCXRJCYRVQDO-ZDUSSCGKSA-N -1 1 366.211 3.270 20 70 FGIDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1 ZINC000159690783 495787674 /nfs/dbraw/zinc/78/76/74/495787674.db2.gz YYSAMJZAHGWNMN-LURJTMIESA-N -1 1 356.644 3.318 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000159910443 495838411 /nfs/dbraw/zinc/83/84/11/495838411.db2.gz CRFZQJISZWWFPM-YOEHRIQHSA-N -1 1 368.481 3.110 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)c1 ZINC000159942744 495846262 /nfs/dbraw/zinc/84/62/62/495846262.db2.gz NJMAXRBSJGQSMZ-UHFFFAOYSA-N -1 1 371.418 3.439 20 70 FGIDMM CC[C@H]1CCCC[C@@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000160103838 495884169 /nfs/dbraw/zinc/88/41/69/495884169.db2.gz DYYWCSBYMXEQTA-YJBOKZPZSA-N -1 1 368.481 3.158 20 70 FGIDMM O=C(NCCC[C@H]1CCCC[C@@H]1O)c1ccc(Br)c([O-])c1 ZINC000160566498 495993504 /nfs/dbraw/zinc/99/35/04/495993504.db2.gz KTWDXHHTIXINMR-RISCZKNCSA-N -1 1 356.260 3.216 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000160982610 496078816 /nfs/dbraw/zinc/07/88/16/496078816.db2.gz GZHVDUGNUSLVGO-GOEBONIOSA-N -1 1 368.481 3.015 20 70 FGIDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1 ZINC000161172415 496118845 /nfs/dbraw/zinc/11/88/45/496118845.db2.gz GYDRCYFNYPGLQF-UHFFFAOYSA-N -1 1 366.414 3.184 20 70 FGIDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(OCCF)c3)ccc2O1 ZINC000161201080 496126160 /nfs/dbraw/zinc/12/61/60/496126160.db2.gz MVAABISIYSCXHZ-GFCCVEGCSA-N -1 1 351.399 3.159 20 70 FGIDMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cnc2n1 ZINC000159426944 495730984 /nfs/dbraw/zinc/73/09/84/495730984.db2.gz ZNAXSTLZFSJXHX-QAPCUYQASA-N -1 1 363.417 3.294 20 70 FGIDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCO[C@H](c3ccccc3)C1)c2=O ZINC000159426944 495730987 /nfs/dbraw/zinc/73/09/87/495730987.db2.gz ZNAXSTLZFSJXHX-QAPCUYQASA-N -1 1 363.417 3.294 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc2ccccc2c1 ZINC000159858484 495825906 /nfs/dbraw/zinc/82/59/06/495825906.db2.gz CAYVVRKQSUDVDQ-UHFFFAOYSA-N -1 1 374.444 3.454 20 70 FGIDMM O=S(=O)([N-][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(F)c1F ZINC000159867661 495827950 /nfs/dbraw/zinc/82/79/50/495827950.db2.gz NUSCIMWCVKBXDO-CJNGLKHVSA-N -1 1 367.417 3.411 20 70 FGIDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)[nH]n1 ZINC000159876113 495830791 /nfs/dbraw/zinc/83/07/91/495830791.db2.gz AFMYZOSLJAOJES-JTQLQIEISA-N -1 1 368.434 3.212 20 70 FGIDMM CCCCc1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)n[nH]1 ZINC000159972225 495853747 /nfs/dbraw/zinc/85/37/47/495853747.db2.gz CUIRMYKKTMIGOD-UHFFFAOYSA-N -1 1 363.361 3.452 20 70 FGIDMM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000218382205 497002350 /nfs/dbraw/zinc/00/23/50/497002350.db2.gz ODNIBZXKCJLMNF-LJQANCHMSA-N -1 1 361.397 3.286 20 70 FGIDMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000160189052 495904678 /nfs/dbraw/zinc/90/46/78/495904678.db2.gz CBESPPLZPQLYRH-UHFFFAOYSA-N -1 1 364.390 3.211 20 70 FGIDMM O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccc(Br)c([O-])c1 ZINC000160566371 495993226 /nfs/dbraw/zinc/99/32/26/495993226.db2.gz KTWDXHHTIXINMR-FZMZJTMJSA-N -1 1 356.260 3.216 20 70 FGIDMM O=C([N-]O[C@@H]1CCCCO1)Nc1c(F)cc(Br)cc1F ZINC000161226749 496132162 /nfs/dbraw/zinc/13/21/62/496132162.db2.gz VDSVBZZUEBZNOP-SNVBAGLBSA-N -1 1 351.147 3.307 20 70 FGIDMM COc1ccc(NC(=O)[C@@H](C)c2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000159424351 495730094 /nfs/dbraw/zinc/73/00/94/495730094.db2.gz FHPRSIIVCJNBST-ZDUSSCGKSA-N -1 1 362.451 3.117 20 70 FGIDMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000160191308 495905223 /nfs/dbraw/zinc/90/52/23/495905223.db2.gz LOCGCMCENBAAKC-UHFFFAOYSA-N -1 1 364.390 3.211 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2ncccc2c1 ZINC000160315564 495933590 /nfs/dbraw/zinc/93/35/90/495933590.db2.gz ASQLJQISPKUYJK-UHFFFAOYSA-N -1 1 361.405 3.171 20 70 FGIDMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(Br)ccc1[O-] ZINC000160169562 495900900 /nfs/dbraw/zinc/90/09/00/495900900.db2.gz XFGTVJAVALLPTI-GFCCVEGCSA-N -1 1 354.244 3.376 20 70 FGIDMM CCC(O)(CC)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000160217871 495912001 /nfs/dbraw/zinc/91/20/01/495912001.db2.gz OKDPXZSQNFKOAP-UHFFFAOYSA-N -1 1 359.797 3.188 20 70 FGIDMM Cc1ccc([C@H]2COCCN2C(=O)c2ccc(Br)c([O-])c2)o1 ZINC000160673416 496017450 /nfs/dbraw/zinc/01/74/50/496017450.db2.gz YMNCXRJCYRVQDO-CYBMUJFWSA-N -1 1 366.211 3.270 20 70 FGIDMM Cc1cc(C[C@@H](C)NC(=O)c2cc(Cl)cc(Br)c2[O-])n[nH]1 ZINC000161441716 496177300 /nfs/dbraw/zinc/17/73/00/496177300.db2.gz ZBUKVZVNJGBCLJ-SSDOTTSWSA-N -1 1 372.650 3.201 20 70 FGIDMM COc1cc(NC(=O)[C@H](C)c2cccc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000159641474 495776090 /nfs/dbraw/zinc/77/60/90/495776090.db2.gz QHMALPFEPOGPBP-CYBMUJFWSA-N -1 1 362.451 3.117 20 70 FGIDMM CC[C@H]1CCCC[C@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000160104136 495884399 /nfs/dbraw/zinc/88/43/99/495884399.db2.gz DYYWCSBYMXEQTA-MAUKXSAKSA-N -1 1 368.481 3.158 20 70 FGIDMM COc1cc(NC(=O)CC2(C)CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000160135156 495892754 /nfs/dbraw/zinc/89/27/54/495892754.db2.gz YSRAZRVCEJIKLO-UHFFFAOYSA-N -1 1 354.472 3.366 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000161056862 496094165 /nfs/dbraw/zinc/09/41/65/496094165.db2.gz QRIMTHKZLMHKEB-HNNXBMFYSA-N -1 1 368.481 3.108 20 70 FGIDMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(Br)cc1[O-] ZINC000159434047 495732431 /nfs/dbraw/zinc/73/24/31/495732431.db2.gz SIVIVKBOCJOVSN-LBPRGKRZSA-N -1 1 354.244 3.376 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1CC ZINC000160043010 495869577 /nfs/dbraw/zinc/86/95/77/495869577.db2.gz TXMYHFADJKGTHL-UHFFFAOYSA-N -1 1 366.870 3.365 20 70 FGIDMM Cc1nc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)sc1C ZINC000160637872 496009612 /nfs/dbraw/zinc/00/96/12/496009612.db2.gz SDENEMNTMINGKH-UHFFFAOYSA-N -1 1 351.859 3.081 20 70 FGIDMM CCOc1cccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000160668528 496016187 /nfs/dbraw/zinc/01/61/87/496016187.db2.gz ZDGHTPXCSWLRKH-UHFFFAOYSA-N -1 1 354.410 3.022 20 70 FGIDMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Br)cc1[O-] ZINC000159433925 495732015 /nfs/dbraw/zinc/73/20/15/495732015.db2.gz SIVIVKBOCJOVSN-GFCCVEGCSA-N -1 1 354.244 3.376 20 70 FGIDMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(Br)ccc1[O-] ZINC000160169681 495901204 /nfs/dbraw/zinc/90/12/04/495901204.db2.gz XFGTVJAVALLPTI-LBPRGKRZSA-N -1 1 354.244 3.376 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000160794033 496043171 /nfs/dbraw/zinc/04/31/71/496043171.db2.gz NHTVHCIZERQLJE-QGZVFWFLSA-N -1 1 356.470 3.166 20 70 FGIDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cc2ccccc2)co1 ZINC000161199161 496125430 /nfs/dbraw/zinc/12/54/30/496125430.db2.gz DOTQIGFILQQRLN-UHFFFAOYSA-N -1 1 370.430 3.031 20 70 FGIDMM CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000161248607 496137301 /nfs/dbraw/zinc/13/73/01/496137301.db2.gz HHFPEPCWHZTLBR-UKRRQHHQSA-N -1 1 351.516 3.160 20 70 FGIDMM O=C(c1ccc2ccccc2c1[O-])N1CCC(N2CCCCC2=O)CC1 ZINC000159454976 495736248 /nfs/dbraw/zinc/73/62/48/495736248.db2.gz VJZAWRGEVMWPBT-UHFFFAOYSA-N -1 1 352.434 3.163 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)cc1CC ZINC000160098510 495882823 /nfs/dbraw/zinc/88/28/23/495882823.db2.gz YWDXNNCZSXBWQM-UHFFFAOYSA-N -1 1 360.435 3.057 20 70 FGIDMM O=S(=O)([N-][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(F)c1F ZINC000159867265 495827871 /nfs/dbraw/zinc/82/78/71/495827871.db2.gz NUSCIMWCVKBXDO-XJKSGUPXSA-N -1 1 367.417 3.411 20 70 FGIDMM O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc(Br)c([O-])c1 ZINC000160566781 495993539 /nfs/dbraw/zinc/99/35/39/495993539.db2.gz KTWDXHHTIXINMR-BXUZGUMPSA-N -1 1 356.260 3.216 20 70 FGIDMM O=S(=O)([N-]Cc1ccco1)c1c(Cl)cc(F)cc1Br ZINC000159452151 495735859 /nfs/dbraw/zinc/73/58/59/495735859.db2.gz OKGITBQTOLWLQE-UHFFFAOYSA-N -1 1 368.611 3.313 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cc1CC ZINC000160062676 495875899 /nfs/dbraw/zinc/87/58/99/495875899.db2.gz AZORESHDFJWBJS-UHFFFAOYSA-N -1 1 370.478 3.252 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)CCCc1ccccc1 ZINC000160261407 495921355 /nfs/dbraw/zinc/92/13/55/495921355.db2.gz MHYPLYZHGHDZPK-UHFFFAOYSA-N -1 1 366.465 3.076 20 70 FGIDMM O=C(c1ccc(Br)cc1[O-])N1CC=C(C(F)(F)F)CC1 ZINC000160601030 496001146 /nfs/dbraw/zinc/00/11/46/496001146.db2.gz MXHBVRWWYXVOIA-UHFFFAOYSA-N -1 1 350.134 3.489 20 70 FGIDMM CCCCCc1ccc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1 ZINC000159412639 495727734 /nfs/dbraw/zinc/72/77/34/495727734.db2.gz SFUDCFXOSOPLHD-UHFFFAOYSA-N -1 1 350.440 3.173 20 70 FGIDMM O=C(NCC1(C2CC2)CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000160038602 495870084 /nfs/dbraw/zinc/87/00/84/495870084.db2.gz YBHRFTBQQJDQGX-UHFFFAOYSA-N -1 1 370.474 3.407 20 70 FGIDMM CCc1ccc([C@H](C)CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000160306660 495931772 /nfs/dbraw/zinc/93/17/72/495931772.db2.gz RSBRASLONLACQT-CYBMUJFWSA-N -1 1 366.465 3.012 20 70 FGIDMM COc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1F ZINC000160511768 495979886 /nfs/dbraw/zinc/97/98/86/495979886.db2.gz DYXBYTNTFDVSQD-UHFFFAOYSA-N -1 1 360.204 3.398 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000161056980 496094652 /nfs/dbraw/zinc/09/46/52/496094652.db2.gz QRIMTHKZLMHKEB-OAHLLOKOSA-N -1 1 368.481 3.108 20 70 FGIDMM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000161183101 496122738 /nfs/dbraw/zinc/12/27/38/496122738.db2.gz XVSFHTSZGCDUQH-KGLIPLIRSA-N -1 1 370.515 3.397 20 70 FGIDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159862126 495826618 /nfs/dbraw/zinc/82/66/18/495826618.db2.gz QTACRPNGRIWNEA-CQSZACIVSA-N -1 1 369.465 3.408 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1CC ZINC000160177941 495901841 /nfs/dbraw/zinc/90/18/41/495901841.db2.gz NSODLRZNEVUKEE-UHFFFAOYSA-N -1 1 356.451 3.397 20 70 FGIDMM COc1cc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000160204052 495907707 /nfs/dbraw/zinc/90/77/07/495907707.db2.gz JYYFHGVYIFPBPJ-GJZGRUSLSA-N -1 1 366.483 3.222 20 70 FGIDMM CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1OCC ZINC000160224880 495912388 /nfs/dbraw/zinc/91/23/88/495912388.db2.gz UGXSRGMHIYXIPL-UHFFFAOYSA-N -1 1 356.382 3.423 20 70 FGIDMM O=C(CCCOc1ccc2c(c1)CCC2)Nc1n[n-]c(C(F)(F)F)n1 ZINC000160802848 496045844 /nfs/dbraw/zinc/04/58/44/496045844.db2.gz WPLNBOBXMBRBAT-UHFFFAOYSA-N -1 1 354.332 3.110 20 70 FGIDMM Cc1cc(C[C@@H](C)NC(=O)c2cc(Br)cc(Cl)c2[O-])n[nH]1 ZINC000161435259 496175808 /nfs/dbraw/zinc/17/58/08/496175808.db2.gz MTQJHNFMZIMPAE-SSDOTTSWSA-N -1 1 372.650 3.201 20 70 FGIDMM O=C(c1cc2ccccc2cc1[O-])N1CCC(N2CCCCC2=O)CC1 ZINC000159457404 495736730 /nfs/dbraw/zinc/73/67/30/495736730.db2.gz MSQXBXJIAFRFCM-UHFFFAOYSA-N -1 1 352.434 3.163 20 70 FGIDMM COc1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000160203805 495907623 /nfs/dbraw/zinc/90/76/23/495907623.db2.gz JYYFHGVYIFPBPJ-CABCVRRESA-N -1 1 366.483 3.222 20 70 FGIDMM COc1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000160203923 495908301 /nfs/dbraw/zinc/90/83/01/495908301.db2.gz JYYFHGVYIFPBPJ-LSDHHAIUSA-N -1 1 366.483 3.222 20 70 FGIDMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3nc(-c4ccccc4)c[nH]3)cnc2n1 ZINC000160510590 495979844 /nfs/dbraw/zinc/97/98/44/495979844.db2.gz DWEYMDNWYAYCLZ-UHFFFAOYSA-N -1 1 373.416 3.306 20 70 FGIDMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)Cc1nc(-c3ccccc3)c[nH]1)c2=O ZINC000160510590 495979849 /nfs/dbraw/zinc/97/98/49/495979849.db2.gz DWEYMDNWYAYCLZ-UHFFFAOYSA-N -1 1 373.416 3.306 20 70 FGIDMM CCOc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1Br ZINC000160625556 496006229 /nfs/dbraw/zinc/00/62/29/496006229.db2.gz ZZSHVKJSHGIAEU-UHFFFAOYSA-N -1 1 357.229 3.044 20 70 FGIDMM COc1cc(NC(=O)[C@@H](C)c2cccc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000159641608 495775632 /nfs/dbraw/zinc/77/56/32/495775632.db2.gz QHMALPFEPOGPBP-ZDUSSCGKSA-N -1 1 362.451 3.117 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000159657681 495780111 /nfs/dbraw/zinc/78/01/11/495780111.db2.gz YSSLMKIZHVFBBS-RDTXWAMCSA-N -1 1 368.481 3.110 20 70 FGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1C ZINC000160498000 495976363 /nfs/dbraw/zinc/97/63/63/495976363.db2.gz FIIXRDKAALSIKA-UHFFFAOYSA-N -1 1 357.435 3.406 20 70 FGIDMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1F ZINC000160774070 496039961 /nfs/dbraw/zinc/03/99/61/496039961.db2.gz LYKAFUSWPFSGGH-UHFFFAOYSA-N -1 1 364.442 3.359 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCC[C@H]1C ZINC000161099840 496102277 /nfs/dbraw/zinc/10/22/77/496102277.db2.gz HSZWHDPXOKFQSO-ZBFHGGJFSA-N -1 1 368.481 3.015 20 70 FGIDMM O=C([N-]O[C@H]1CCCCO1)Nc1c(F)cc(Br)cc1F ZINC000161226859 496132235 /nfs/dbraw/zinc/13/22/35/496132235.db2.gz VDSVBZZUEBZNOP-JTQLQIEISA-N -1 1 351.147 3.307 20 70 FGIDMM O=S(=O)([N-]CCc1ccccc1O)c1cc(Cl)sc1Cl ZINC000159660855 495781273 /nfs/dbraw/zinc/78/12/73/495781273.db2.gz QGGBCQIVIVVZSD-UHFFFAOYSA-N -1 1 352.264 3.282 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)cc1CC ZINC000160130355 495891852 /nfs/dbraw/zinc/89/18/52/495891852.db2.gz HFKHCZMPEAIAHX-UHFFFAOYSA-N -1 1 360.435 3.057 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1CC ZINC000160225735 495914278 /nfs/dbraw/zinc/91/42/78/495914278.db2.gz OFZQFZUVBVJZMR-UHFFFAOYSA-N -1 1 358.463 3.497 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)c2ccccc21 ZINC000160290471 495927990 /nfs/dbraw/zinc/92/79/90/495927990.db2.gz ZNEJEGHSYVSLIX-CQSZACIVSA-N -1 1 374.444 3.223 20 70 FGIDMM CCCC1CCC(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000160974108 496077885 /nfs/dbraw/zinc/07/78/85/496077885.db2.gz HLZPWMJRPGYPEW-UHFFFAOYSA-N -1 1 358.486 3.459 20 70 FGIDMM CC(C)n1cc(NC(=O)c2cc(I)ccc2[O-])cn1 ZINC000218198722 497001286 /nfs/dbraw/zinc/00/12/86/497001286.db2.gz FATCDJOYBAQQCU-UHFFFAOYSA-N -1 1 371.178 3.027 20 70 FGIDMM COC(=O)Cc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000159452644 495735585 /nfs/dbraw/zinc/73/55/85/495735585.db2.gz NMTJLVQSLATLED-UHFFFAOYSA-N -1 1 364.195 3.123 20 70 FGIDMM CCCOc1cccc(CCNC(=O)c2c[nH]c3ccccc3c2=O)c1 ZINC000159716036 495792970 /nfs/dbraw/zinc/79/29/70/495792970.db2.gz METRLEVKFOWZJR-UHFFFAOYSA-N -1 1 350.418 3.289 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000160110826 495886259 /nfs/dbraw/zinc/88/62/59/495886259.db2.gz DYIRYVINVAOVOL-UHFFFAOYSA-N -1 1 351.399 3.428 20 70 FGIDMM CC[C@@H](CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(C)cc1 ZINC000160304967 495931741 /nfs/dbraw/zinc/93/17/41/495931741.db2.gz GIFYIBRGHZYLPX-INIZCTEOSA-N -1 1 366.465 3.148 20 70 FGIDMM CCOc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1F ZINC000160723013 496028668 /nfs/dbraw/zinc/02/86/68/496028668.db2.gz XSIPKZNMVIIGPW-UHFFFAOYSA-N -1 1 372.400 3.161 20 70 FGIDMM CC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1cccs1 ZINC000160758605 496037243 /nfs/dbraw/zinc/03/72/43/496037243.db2.gz AGBNJUCNBJUILX-AWEZNQCLSA-N -1 1 358.467 3.313 20 70 FGIDMM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000161372185 496162642 /nfs/dbraw/zinc/16/26/42/496162642.db2.gz PKROTGDFEFUUJC-CZMCAQCFSA-N -1 1 372.701 3.476 20 70 FGIDMM CC[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000160103992 495883911 /nfs/dbraw/zinc/88/39/11/495883911.db2.gz DYYWCSBYMXEQTA-CRAIPNDOSA-N -1 1 368.481 3.158 20 70 FGIDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 ZINC000160657586 496013996 /nfs/dbraw/zinc/01/39/96/496013996.db2.gz YTMMKNVQBQBUNT-UHFFFAOYSA-N -1 1 351.325 3.492 20 70 FGIDMM CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000161248509 496136770 /nfs/dbraw/zinc/13/67/70/496136770.db2.gz HHFPEPCWHZTLBR-ZFWWWQNUSA-N -1 1 351.516 3.160 20 70 FGIDMM O=S(=O)([N-]CC1(O)CCCCC1)c1c(Cl)cccc1C(F)(F)F ZINC000159816386 495815708 /nfs/dbraw/zinc/81/57/08/495815708.db2.gz VOXLDURQPMUCJZ-UHFFFAOYSA-N -1 1 371.808 3.332 20 70 FGIDMM Cc1ccc([C@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000159844759 495823020 /nfs/dbraw/zinc/82/30/20/495823020.db2.gz JXJFVODPSRAVGK-ZDUSSCGKSA-N -1 1 352.438 3.170 20 70 FGIDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)[nH]n1 ZINC000159882875 495831275 /nfs/dbraw/zinc/83/12/75/495831275.db2.gz MUVDTFCCZLHKLZ-GFCCVEGCSA-N -1 1 364.471 3.097 20 70 FGIDMM COc1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000160203670 495908045 /nfs/dbraw/zinc/90/80/45/495908045.db2.gz JYYFHGVYIFPBPJ-HUUCEWRRSA-N -1 1 366.483 3.222 20 70 FGIDMM O=C(CSc1nccc2ccccc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000160805069 496045627 /nfs/dbraw/zinc/04/56/27/496045627.db2.gz GYJNEZBGKAZNBV-UHFFFAOYSA-N -1 1 353.329 3.103 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)c1 ZINC000159964190 495851567 /nfs/dbraw/zinc/85/15/67/495851567.db2.gz NHOXWJKNXBQPMV-UHFFFAOYSA-N -1 1 370.434 3.174 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1CC ZINC000160175397 495902311 /nfs/dbraw/zinc/90/23/11/495902311.db2.gz DSSJPWOAKZDECW-QFIPXVFZSA-N -1 1 351.493 3.350 20 70 FGIDMM COc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c(Cl)c1Cl ZINC000160490663 495975094 /nfs/dbraw/zinc/97/50/94/495975094.db2.gz SCVLOPAJTPHZMH-UHFFFAOYSA-N -1 1 350.227 3.143 20 70 FGIDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2ccccc2)co1 ZINC000160672097 496017351 /nfs/dbraw/zinc/01/73/51/496017351.db2.gz AUKKIWJWCRZHIS-UHFFFAOYSA-N -1 1 372.402 3.232 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000160983015 496079173 /nfs/dbraw/zinc/07/91/73/496079173.db2.gz GZHVDUGNUSLVGO-ZBFHGGJFSA-N -1 1 368.481 3.015 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000161099702 496101931 /nfs/dbraw/zinc/10/19/31/496101931.db2.gz HSZWHDPXOKFQSO-GOEBONIOSA-N -1 1 368.481 3.015 20 70 FGIDMM COc1cc(CN(C)C(=O)c2ccc(Br)c([O-])c2)ccc1O ZINC000159726221 495796674 /nfs/dbraw/zinc/79/66/74/495796674.db2.gz KIRMHEBGDHPDGH-UHFFFAOYSA-N -1 1 366.211 3.141 20 70 FGIDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)OC)[nH]n1 ZINC000159878061 495830222 /nfs/dbraw/zinc/83/02/22/495830222.db2.gz NVKVQJDCMHYPAC-LLVKDONJSA-N -1 1 365.455 3.209 20 70 FGIDMM CC1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCOCC1 ZINC000161002557 496083430 /nfs/dbraw/zinc/08/34/30/496083430.db2.gz UVUXBHASFSRKKZ-UHFFFAOYSA-N -1 1 358.674 3.494 20 70 FGIDMM O=C(c1ccc(Br)c([O-])c1)N1CCc2ccc(F)cc2C1 ZINC000161478339 496182948 /nfs/dbraw/zinc/18/29/48/496182948.db2.gz UQMBWTABJPESCZ-UHFFFAOYSA-N -1 1 350.187 3.492 20 70 FGIDMM Cc1ccc([C@@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000159844643 495822691 /nfs/dbraw/zinc/82/26/91/495822691.db2.gz JXJFVODPSRAVGK-CYBMUJFWSA-N -1 1 352.438 3.170 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1CC ZINC000160004006 495861053 /nfs/dbraw/zinc/86/10/53/495861053.db2.gz YXCWCLTYXDCRLF-UHFFFAOYSA-N -1 1 367.492 3.016 20 70 FGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1C ZINC000160494631 495975937 /nfs/dbraw/zinc/97/59/37/495975937.db2.gz YKJCEVZKMLYKKE-UHFFFAOYSA-N -1 1 353.753 3.500 20 70 FGIDMM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000159836070 495820292 /nfs/dbraw/zinc/82/02/92/495820292.db2.gz DKGWUKMWTLAMFZ-JTQLQIEISA-N -1 1 350.212 3.221 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1CC ZINC000160013110 495863139 /nfs/dbraw/zinc/86/31/39/495863139.db2.gz CQMOYKXRTZQKSS-UHFFFAOYSA-N -1 1 360.479 3.314 20 70 FGIDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1Br ZINC000160639561 496009191 /nfs/dbraw/zinc/00/91/91/496009191.db2.gz FDIPBMRUHMIOEW-UHFFFAOYSA-N -1 1 358.261 3.405 20 70 FGIDMM CCC(=O)c1cccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000160724959 496028483 /nfs/dbraw/zinc/02/84/83/496028483.db2.gz OKAYNGVSVDZBMY-UHFFFAOYSA-N -1 1 366.421 3.216 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)c2ccccc21 ZINC000160290346 495927626 /nfs/dbraw/zinc/92/76/26/495927626.db2.gz ZNEJEGHSYVSLIX-AWEZNQCLSA-N -1 1 374.444 3.223 20 70 FGIDMM CC[C@H](CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(C)cc1 ZINC000160305095 495931647 /nfs/dbraw/zinc/93/16/47/495931647.db2.gz GIFYIBRGHZYLPX-MRXNPFEDSA-N -1 1 366.465 3.148 20 70 FGIDMM O=C(CSc1nccc2ccccc21)Nc1nc(-c2ccccn2)n[nH]1 ZINC000160883666 496059876 /nfs/dbraw/zinc/05/98/76/496059876.db2.gz UZLGXPRIMYRGOX-UHFFFAOYSA-N -1 1 362.418 3.146 20 70 FGIDMM CCCCN(c1ccccc1)S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000161164198 496118256 /nfs/dbraw/zinc/11/82/56/496118256.db2.gz LXBGQVIXLYWLQF-UHFFFAOYSA-N -1 1 362.451 3.346 20 70 FGIDMM COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1F ZINC000160509727 495978570 /nfs/dbraw/zinc/97/85/70/495978570.db2.gz HMKJZHNDPCGUIK-UHFFFAOYSA-N -1 1 360.204 3.398 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000160982879 496078957 /nfs/dbraw/zinc/07/89/57/496078957.db2.gz GZHVDUGNUSLVGO-GDBMZVCRSA-N -1 1 368.481 3.015 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cnn(CC)c3c2)c1 ZINC000159955106 495848968 /nfs/dbraw/zinc/84/89/68/495848968.db2.gz FOTHFVKETUMAQM-UHFFFAOYSA-N -1 1 357.435 3.450 20 70 FGIDMM O=S(=O)([N-]Cc1ccc[nH]1)c1c(Cl)cc(F)cc1Br ZINC000160930702 496069566 /nfs/dbraw/zinc/06/95/66/496069566.db2.gz QUKMXLGTEGFCPB-UHFFFAOYSA-N -1 1 367.627 3.048 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(OC(C)C)cc1 ZINC000160391373 495952243 /nfs/dbraw/zinc/95/22/43/495952243.db2.gz VYFWRPCCUBCNFM-UHFFFAOYSA-N -1 1 368.437 3.410 20 70 FGIDMM Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)sc1C ZINC000160625952 496006139 /nfs/dbraw/zinc/00/61/39/496006139.db2.gz SVJNRUFFEMQCMF-UHFFFAOYSA-N -1 1 351.859 3.081 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000160982745 496079050 /nfs/dbraw/zinc/07/90/50/496079050.db2.gz GZHVDUGNUSLVGO-HOCLYGCPSA-N -1 1 368.481 3.015 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000159851586 495824248 /nfs/dbraw/zinc/82/42/48/495824248.db2.gz ZAIJUNNWSHXBGS-ZDUSSCGKSA-N -1 1 370.428 3.343 20 70 FGIDMM Cc1cc([C@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c(C)o1 ZINC000161421029 496172984 /nfs/dbraw/zinc/17/29/84/496172984.db2.gz VMXLQLHEUJCZLY-LBPRGKRZSA-N -1 1 356.426 3.072 20 70 FGIDMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cnc2n1 ZINC000159427086 495730788 /nfs/dbraw/zinc/73/07/88/495730788.db2.gz ZNAXSTLZFSJXHX-YJBOKZPZSA-N -1 1 363.417 3.294 20 70 FGIDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCO[C@H](c3ccccc3)C1)c2=O ZINC000159427086 495730790 /nfs/dbraw/zinc/73/07/90/495730790.db2.gz ZNAXSTLZFSJXHX-YJBOKZPZSA-N -1 1 363.417 3.294 20 70 FGIDMM O=C(N[C@H](CCO)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000159523699 495751586 /nfs/dbraw/zinc/75/15/86/495751586.db2.gz HDWKLQXBMLHKAE-CQSZACIVSA-N -1 1 350.212 3.008 20 70 FGIDMM Cc1cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c(Cl)cc1F ZINC000159766727 495805200 /nfs/dbraw/zinc/80/52/00/495805200.db2.gz IXJMHOAWPTZRNJ-UHFFFAOYSA-N -1 1 357.838 3.045 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)[C@H](C)c1ccccc1F ZINC000159851724 495824236 /nfs/dbraw/zinc/82/42/36/495824236.db2.gz ZAIJUNNWSHXBGS-CYBMUJFWSA-N -1 1 370.428 3.343 20 70 FGIDMM CC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCC1 ZINC000161327930 496152556 /nfs/dbraw/zinc/15/25/56/496152556.db2.gz YSNNEIREZZLBRS-UHFFFAOYSA-N -1 1 356.644 3.463 20 70 FGIDMM CCCCc1cc([N-]S(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000159961596 495850620 /nfs/dbraw/zinc/85/06/20/495850620.db2.gz GKQXNMZPTCUMBY-UHFFFAOYSA-N -1 1 358.261 3.316 20 70 FGIDMM O=C(NCC1(C2CC2)CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000159982006 495855218 /nfs/dbraw/zinc/85/52/18/495855218.db2.gz OYXMMRYDLMUKKH-UHFFFAOYSA-N -1 1 370.474 3.407 20 70 FGIDMM CCO[C@H](C)c1nc(CC(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cs1 ZINC000160312756 495932262 /nfs/dbraw/zinc/93/22/62/495932262.db2.gz OUNALZPXPHDADI-SNVBAGLBSA-N -1 1 361.427 3.108 20 70 FGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C ZINC000160477026 495972313 /nfs/dbraw/zinc/97/23/13/495972313.db2.gz HWJZAPCJFMVUJF-UHFFFAOYSA-N -1 1 353.753 3.500 20 70 FGIDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)ccc1C ZINC000161182104 496121760 /nfs/dbraw/zinc/12/17/60/496121760.db2.gz HSXNFEIPLNRXFI-UHFFFAOYSA-N -1 1 366.414 3.103 20 70 FGIDMM CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000161183214 496122588 /nfs/dbraw/zinc/12/25/88/496122588.db2.gz XVSFHTSZGCDUQH-KBPBESRZSA-N -1 1 370.515 3.397 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000159910713 495839017 /nfs/dbraw/zinc/83/90/17/495839017.db2.gz CRFZQJISZWWFPM-PBHICJAKSA-N -1 1 368.481 3.110 20 70 FGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1C ZINC000160479576 495972431 /nfs/dbraw/zinc/97/24/31/495972431.db2.gz IRETXIVYXSURNQ-UHFFFAOYSA-N -1 1 364.652 3.243 20 70 FGIDMM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000161248421 496136820 /nfs/dbraw/zinc/13/68/20/496136820.db2.gz HHFPEPCWHZTLBR-HIFRSBDPSA-N -1 1 351.516 3.160 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000159657390 495779884 /nfs/dbraw/zinc/77/98/84/495779884.db2.gz YSSLMKIZHVFBBS-KBXCAEBGSA-N -1 1 368.481 3.110 20 70 FGIDMM O=S(=O)([N-][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(F)c1F ZINC000159867405 495828142 /nfs/dbraw/zinc/82/81/42/495828142.db2.gz NUSCIMWCVKBXDO-BBRMVZONSA-N -1 1 367.417 3.411 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)c1 ZINC000159883618 495831298 /nfs/dbraw/zinc/83/12/98/495831298.db2.gz BQAUSJCZNAPWFL-UHFFFAOYSA-N -1 1 360.435 3.347 20 70 FGIDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)[nH]n1 ZINC000159882943 495831919 /nfs/dbraw/zinc/83/19/19/495831919.db2.gz MUVDTFCCZLHKLZ-LBPRGKRZSA-N -1 1 364.471 3.097 20 70 FGIDMM COc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1 ZINC000160650771 496011773 /nfs/dbraw/zinc/01/17/73/496011773.db2.gz IYSJMULLGLEVNR-UHFFFAOYSA-N -1 1 374.260 3.105 20 70 FGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)c1C ZINC000160479848 495972253 /nfs/dbraw/zinc/97/22/53/495972253.db2.gz GYBJAUYIOCRTFB-UHFFFAOYSA-N -1 1 358.261 3.207 20 70 FGIDMM CCOc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c(C)c1 ZINC000160684047 496019757 /nfs/dbraw/zinc/01/97/57/496019757.db2.gz XBJDGZPTISDOJL-UHFFFAOYSA-N -1 1 368.437 3.330 20 70 FGIDMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000160955131 496074818 /nfs/dbraw/zinc/07/48/18/496074818.db2.gz UFTMKKSZYLUFEY-UHFFFAOYSA-N -1 1 366.870 3.365 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)c1 ZINC000160071877 495878265 /nfs/dbraw/zinc/87/82/65/495878265.db2.gz LRYNTEIITQWWFB-UHFFFAOYSA-N -1 1 374.462 3.090 20 70 FGIDMM COc1cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)ccc1Br ZINC000160640225 496009547 /nfs/dbraw/zinc/00/95/47/496009547.db2.gz LTTMUHQQOZMKKM-UHFFFAOYSA-N -1 1 374.260 3.105 20 70 FGIDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)[nH]n1 ZINC000160653592 496012886 /nfs/dbraw/zinc/01/28/86/496012886.db2.gz VOALJMIUXHPWON-UHFFFAOYSA-N -1 1 362.224 3.236 20 70 FGIDMM CC[C@H]1CCCC[C@H]1N(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000161248691 496137005 /nfs/dbraw/zinc/13/70/05/496137005.db2.gz HHFPEPCWHZTLBR-DZGCQCFKSA-N -1 1 351.516 3.160 20 70 FGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)cc1CC ZINC000160047394 495871936 /nfs/dbraw/zinc/87/19/36/495871936.db2.gz LIXJKCZLAOIYGC-UHFFFAOYSA-N -1 1 370.478 3.408 20 70 FGIDMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000160656314 496014127 /nfs/dbraw/zinc/01/41/27/496014127.db2.gz DEMXZSIELBVDKF-UHFFFAOYSA-N -1 1 358.261 3.405 20 70 FGIDMM CC1(NC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCC1 ZINC000160534530 495985963 /nfs/dbraw/zinc/98/59/63/495985963.db2.gz IOPPNLFORZMEQP-UHFFFAOYSA-N -1 1 373.478 3.229 20 70 FGIDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H]1C1CCCC1 ZINC000160794166 496043372 /nfs/dbraw/zinc/04/33/72/496043372.db2.gz NHTVHCIZERQLJE-KRWDZBQOSA-N -1 1 356.470 3.166 20 70 FGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)c1 ZINC000159974224 495854784 /nfs/dbraw/zinc/85/47/84/495854784.db2.gz VIQCSBBVQPOIBO-UHFFFAOYSA-N -1 1 357.391 3.130 20 70 FGIDMM CN(C)c1cccc(CN(C)C(=O)c2ccc(Br)c([O-])c2)c1 ZINC000160612268 496003619 /nfs/dbraw/zinc/00/36/19/496003619.db2.gz KOKKRHADJOOIDJ-UHFFFAOYSA-N -1 1 363.255 3.493 20 70 FGIDMM CC1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCOCC1 ZINC000161006803 496084372 /nfs/dbraw/zinc/08/43/72/496084372.db2.gz SRPJZJGBQTUPHI-UHFFFAOYSA-N -1 1 357.781 3.206 20 70 FGIDMM CCc1ccc([C@@H](C)CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000160306531 495931499 /nfs/dbraw/zinc/93/14/99/495931499.db2.gz RSBRASLONLACQT-ZDUSSCGKSA-N -1 1 366.465 3.012 20 70 FGIDMM O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ccc(Br)c([O-])c1 ZINC000160566638 495993294 /nfs/dbraw/zinc/99/32/94/495993294.db2.gz KTWDXHHTIXINMR-SMDDNHRTSA-N -1 1 356.260 3.216 20 70 FGIDMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c(C)n1 ZINC000160682849 496019867 /nfs/dbraw/zinc/01/98/67/496019867.db2.gz HDOSEKDIDIKQQO-UHFFFAOYSA-N -1 1 350.440 3.295 20 70 FGIDMM CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000161183468 496122543 /nfs/dbraw/zinc/12/25/43/496122543.db2.gz XVSFHTSZGCDUQH-UONOGXRCSA-N -1 1 370.515 3.397 20 70 FGIDMM COCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000161264441 496140850 /nfs/dbraw/zinc/14/08/50/496140850.db2.gz SLUACQXZAMMMQM-UHFFFAOYSA-N -1 1 362.451 3.099 20 70 FGIDMM Cc1cc(C[C@H](C)NC(=O)c2cc(Br)cc(Cl)c2[O-])n[nH]1 ZINC000161435389 496175959 /nfs/dbraw/zinc/17/59/59/496175959.db2.gz MTQJHNFMZIMPAE-ZETCQYMHSA-N -1 1 372.650 3.201 20 70 FGIDMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000160127405 495889823 /nfs/dbraw/zinc/88/98/23/495889823.db2.gz VTAJGLLPXOSTJR-UHFFFAOYSA-N -1 1 355.301 3.168 20 70 FGIDMM CCCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)CC1 ZINC000160716023 496027804 /nfs/dbraw/zinc/02/78/04/496027804.db2.gz RHXFUSMKGGBUGC-UHFFFAOYSA-N -1 1 373.478 3.193 20 70 FGIDMM Cc1cc(C[C@H](C)NC(=O)c2cc(Cl)cc(Br)c2[O-])n[nH]1 ZINC000161441868 496176776 /nfs/dbraw/zinc/17/67/76/496176776.db2.gz ZBUKVZVNJGBCLJ-ZETCQYMHSA-N -1 1 372.650 3.201 20 70 FGIDMM O=C(/C=C/c1ccccc1Cl)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216740789 568137339 /nfs/dbraw/zinc/13/73/39/568137339.db2.gz RXYFBMVTNMNEHD-AATRIKPKSA-N -1 1 374.790 3.270 20 70 FGIDMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cnc2n1 ZINC000159427208 495731010 /nfs/dbraw/zinc/73/10/10/495731010.db2.gz ZNAXSTLZFSJXHX-CRAIPNDOSA-N -1 1 363.417 3.294 20 70 FGIDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCO[C@@H](c3ccccc3)C1)c2=O ZINC000159427208 495731015 /nfs/dbraw/zinc/73/10/15/495731015.db2.gz ZNAXSTLZFSJXHX-CRAIPNDOSA-N -1 1 363.417 3.294 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000159657820 495780209 /nfs/dbraw/zinc/78/02/09/495780209.db2.gz YSSLMKIZHVFBBS-KDOFPFPSSA-N -1 1 368.481 3.110 20 70 FGIDMM O=C(NCC1(C2CC2)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159705713 495792142 /nfs/dbraw/zinc/79/21/42/495792142.db2.gz NNIGHRSSKWWMCC-UHFFFAOYSA-N -1 1 370.474 3.407 20 70 FGIDMM O=S(=O)([N-][C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(F)c1F ZINC000159867516 495828032 /nfs/dbraw/zinc/82/80/32/495828032.db2.gz NUSCIMWCVKBXDO-CZUORRHYSA-N -1 1 367.417 3.411 20 70 FGIDMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c(C)n1 ZINC000160676899 496017617 /nfs/dbraw/zinc/01/76/17/496017617.db2.gz RHFALSWNUZTFGG-UHFFFAOYSA-N -1 1 371.256 3.270 20 70 FGIDMM COc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)c(C)n1 ZINC000160681809 496018499 /nfs/dbraw/zinc/01/84/99/496018499.db2.gz FASBPKAPRWAKBR-UHFFFAOYSA-N -1 1 371.256 3.270 20 70 FGIDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCCC[C@H]1C ZINC000161099959 496103680 /nfs/dbraw/zinc/10/36/80/496103680.db2.gz HSZWHDPXOKFQSO-GDBMZVCRSA-N -1 1 368.481 3.015 20 70 FGIDMM